D0DL3W -OEChem-04152112563D 54 57 0 1 0 0 0 0 0999 V2000 4.2222 4.2592 -0.1942 P 0 0 2 0 0 0 0 0 0 0 0 0 2.5649 -2.4093 -1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 2.7931 0.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 0.4989 -0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2356 3.8056 -1.4154 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 4.8341 -0.7871 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4062 5.0611 0.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1577 0.5424 0.2665 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4113 -3.1452 -1.6569 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 0.4889 -1.0326 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0139 1.0083 0.6369 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 -4.0847 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 -1.4150 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -3.2219 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -3.3310 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 -2.1748 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0696 -0.1278 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6157 -2.7409 0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 -1.9873 1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9352 -2.7064 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -2.9469 -1.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 -1.6413 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0510 0.0155 1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4053 1.9009 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 -1.2680 1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -1.9160 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6092 -2.1566 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1192 -0.7938 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 1.4169 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7113 2.6911 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 3.6049 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0009 1.9239 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9190 3.2219 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3262 -4.7811 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5445 -4.7293 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 -2.7290 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -2.9940 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 -2.9155 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 -3.3404 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9036 0.6206 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 1.9326 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 2.1894 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5853 -1.7025 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2887 -1.5199 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 -1.9475 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9725 -1.2689 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3557 -0.7175 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6181 -0.1010 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3063 1.4454 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7922 2.9742 -1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6462 4.6136 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8007 4.5053 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8920 1.5754 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7407 3.9174 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 24 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 52 1 0 0 0 0 8 17 1 0 0 0 0 8 23 2 0 0 0 0 8 24 1 0 0 0 0 9 15 2 0 0 0 0 10 17 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 29 1 0 0 0 0 11 32 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 18 36 1 0 0 0 0 19 25 2 0 0 0 0 19 37 1 0 0 0 0 20 26 1 0 0 0 0 20 38 1 0 0 0 0 21 27 2 0 0 0 0 21 39 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 33 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$