D00QYO -OEChem-10101305032D 45 47 0 1 0 0 0 0 0999 V2000 7.6651 1.8898 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.3880 2.0678 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.1109 2.2459 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 2.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 1.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0734 2.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 0.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9744 1.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8016 2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0237 1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5192 3.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7026 1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.7117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.4043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 0.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 0.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 2.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2744 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 3.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 2.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 3.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7212 0.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5259 2.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1556 3.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 20 5 1 1 0 0 0 7 39 1 0 0 0 0 10 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 22 15 1 6 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 25 2 0 0 0 0 17 29 1 0 0 0 0 18 28 1 0 0 0 0 18 29 2 0 0 0 0 19 28 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 24 1 6 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 29 40 1 0 0 0 0 M END $$$$