D0ZS6R -OEChem-04152122232D 167165 0 1 0 0 0 0 0999 V2000 3.4746 10.3881 0.0000 Tc 2 0 0 0 0 0 0 0 0 0 0 0 17.2224 -8.1547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -7.5207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4793 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 11.1699 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 -10.0207 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 19.3205 -10.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3564 -9.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -7.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -8.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -7.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -12.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -10.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -10.5207 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.5263 -9.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.9793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.9793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 9.4132 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3767 9.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 10.1656 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 17.5885 -10.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -8.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -8.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -11.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -10.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -6.0207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2277 -5.2454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.4793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 9.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 11.5662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -9.0207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3205 -8.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -10.0207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4545 -10.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2224 -9.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -9.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -7.5207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 -10.0207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8564 -10.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -7.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -7.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -9.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -7.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -12.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -10.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -8.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -10.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -7.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4564 -7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -11.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1144 -6.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -9.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -10.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -10.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2880 -5.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -10.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 -3.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 8.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 10.3881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0981 11.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6965 10.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -8.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -8.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -8.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3213 -9.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -11.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9779 -8.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6210 -9.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6236 -8.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -7.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -10.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -6.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -6.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -8.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -6.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -6.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -11.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -12.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -12.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -10.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -10.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -10.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -7.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6496 -10.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8364 -7.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9643 -7.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5774 -6.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7320 -6.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -8.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -11.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -5.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1804 -4.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6680 -5.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -5.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -6.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3354 -4.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7027 -5.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -4.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -3.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -2.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -10.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 2.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.7893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 5.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 6.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.9424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 8.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 7.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 10.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6567 11.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 11.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5957 11.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 12.0207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 49 1 0 0 0 0 2 63 1 0 0 0 0 3 54 1 0 0 0 0 3 57 1 0 0 0 0 4 75 1 0 0 0 0 4 82 1 0 0 0 0 5 81 1 0 0 0 0 5 84 1 0 0 0 0 6 94 1 0 0 0 0 8 48 2 0 0 0 0 9 53 2 0 0 0 0 10 55 2 0 0 0 0 11 56 2 0 0 0 0 12 62 2 0 0 0 0 13 64 2 0 0 0 0 14 68 1 0 0 0 0 14136 1 0 0 0 0 15 71 1 0 0 0 0 16 71 2 0 0 0 0 17 72 2 0 0 0 0 18 76 2 0 0 0 0 19 77 2 0 0 0 0 20 80 2 0 0 0 0 21 83 1 0 0 0 0 22 86 2 0 0 0 0 23 88 1 0 0 0 0 24 89 2 0 0 0 0 25 92 1 0 0 0 0 26 95 2 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28100 1 0 0 0 0 29 45 1 0 0 0 0 29 55 1 0 0 0 0 29101 1 0 0 0 0 30 51 1 0 0 0 0 30 56 1 0 0 0 0 30108 1 0 0 0 0 31 53 1 0 0 0 0 31 58 1 0 0 0 0 31111 1 0 0 0 0 32 52 1 0 0 0 0 32 64 1 0 0 0 0 32116 1 0 0 0 0 33 62 1 0 0 0 0 33 70 1 0 0 0 0 33125 1 0 0 0 0 34 69 1 0 0 0 0 34131 1 0 0 0 0 34132 1 0 0 0 0 35 72 1 0 0 0 0 35 74 1 0 0 0 0 35133 1 0 0 0 0 73 36 1 1 0 0 0 36 76 1 0 0 0 0 36139 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 37140 1 0 0 0 0 79 38 1 1 0 0 0 38 80 1 0 0 0 0 38144 1 0 0 0 0 39 82 1 0 0 0 0 39 86 1 0 0 0 0 39149 1 0 0 0 0 40 83 2 0 0 0 0 40 85 1 0 0 0 0 41 84 1 0 0 0 0 41 89 1 0 0 0 0 41154 1 0 0 0 0 42 88 2 0 0 0 0 42 91 1 0 0 0 0 43 92 2 0 0 0 0 93 43 1 1 0 0 0 44 95 1 0 0 0 0 44166 1 0 0 0 0 44167 1 0 0 0 0 45 46 1 6 0 0 0 45 48 1 0 0 0 0 45 96 1 0 0 0 0 46 50 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47 49 1 6 0 0 0 47 53 1 0 0 0 0 47 99 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50 60 2 0 0 0 0 50 61 1 0 0 0 0 51 54 1 0 0 0 0 51 62 1 6 0 0 0 51104 1 0 0 0 0 52 56 1 0 0 0 0 52 59 1 1 0 0 0 52105 1 0 0 0 0 54106 1 0 0 0 0 54107 1 0 0 0 0 55 57 1 0 0 0 0 57109 1 0 0 0 0 57110 1 0 0 0 0 58 64 1 0 0 0 0 58112 1 0 0 0 0 58113 1 0 0 0 0 59 71 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 60 66 1 0 0 0 0 60117 1 0 0 0 0 61 67 2 0 0 0 0 61118 1 0 0 0 0 63 65 1 0 0 0 0 63119 1 0 0 0 0 63120 1 0 0 0 0 65 69 1 0 0 0 0 65121 1 0 0 0 0 65122 1 0 0 0 0 66 68 2 0 0 0 0 66123 1 0 0 0 0 67 68 1 0 0 0 0 67124 1 0 0 0 0 69126 1 0 0 0 0 69127 1 0 0 0 0 70 72 1 0 0 0 0 70128 1 0 0 0 0 70129 1 0 0 0 0 73 75 1 0 0 0 0 73 77 1 0 0 0 0 73130 1 0 0 0 0 74 76 1 0 0 0 0 74134 1 0 0 0 0 74135 1 0 0 0 0 75137 1 0 0 0 0 75138 1 0 0 0 0 78 80 1 0 0 0 0 78141 1 0 0 0 0 78142 1 0 0 0 0 79 81 1 0 0 0 0 79 83 1 0 0 0 0 79143 1 0 0 0 0 81145 1 0 0 0 0 81146 1 0 0 0 0 82147 1 0 0 0 0 82148 1 0 0 0 0 84150 1 0 0 0 0 84151 1 0 0 0 0 85 88 1 0 0 0 0 85152 1 0 0 0 0 85153 1 0 0 0 0 86 87 1 0 0 0 0 87155 1 0 0 0 0 87156 1 0 0 0 0 87157 1 0 0 0 0 89 90 1 0 0 0 0 90158 1 0 0 0 0 90159 1 0 0 0 0 90160 1 0 0 0 0 91 92 1 0 0 0 0 91161 1 0 0 0 0 91162 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 93163 1 0 0 0 0 94164 1 0 0 0 0 94165 1 0 0 0 0 M CHG 8 1 5 6 -1 7 1 15 -1 21 -1 23 -1 25 -1 27 -2 M ISO 1 1 99 M END $$$$