B3NTF7 -OEChem-04022105143D 42 45 0 0 0 0 0 0 0999 V2000 -4.0373 -2.5002 1.6278 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1583 2.1900 -0.1254 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -0.8558 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 3.0073 1.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2026 -0.5007 1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8381 3.5389 0.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 0.4206 1.2352 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 1.0163 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 0.5527 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 1.0756 -0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -0.7640 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.6233 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 0.6684 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3424 1.8617 -1.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 1.2449 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -2.0250 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 1.9209 -1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 2.3139 -2.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 1.5144 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6225 -0.5701 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 -2.2935 -1.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -2.9754 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -0.9626 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 1.1218 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6273 2.6628 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9748 -0.1166 0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -3.5124 -1.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 -4.1943 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -4.4628 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -0.0019 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 2.1720 -2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 2.2724 -2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 2.9647 -3.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4683 2.4985 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 -1.2651 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 -1.5668 -2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -2.7814 1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2513 -3.7218 -2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 -4.9340 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -5.4118 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.9797 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1196 -1.3836 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 25 1 0 0 0 0 4 41 1 0 0 0 0 5 26 1 0 0 0 0 5 42 1 0 0 0 0 6 25 2 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 12 30 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 25 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 27 1 0 0 0 0 21 36 1 0 0 0 0 22 28 2 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 27 29 2 0 0 0 0 27 38 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 29 40 1 0 0 0 0 M END $$$$