B61KNZ -OEChem-04022104293D 46 49 0 0 0 0 0 0 0999 V2000 1.1786 -1.8959 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1341 0.4525 -0.0185 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -0.3190 -0.0232 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4513 -1.0271 0.5798 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6585 2.0771 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 2.3228 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 0.7451 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2244 -0.7892 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -0.7852 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 -0.7792 -1.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 1.2348 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -0.0457 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -0.8049 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 3.1554 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 3.6502 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2604 -0.7704 1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -0.7646 -1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -1.2056 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 4.4673 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6025 4.7141 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -0.7962 2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 -0.7838 -2.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9859 -0.7603 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8513 -2.3959 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -3.4726 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 -2.0959 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -3.3280 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 1.4079 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 1.2326 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 3.0376 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.8668 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -0.7664 2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 -0.7559 -2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 5.2976 -0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 5.7364 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 -1.6765 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -0.8317 3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 0.1096 2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 -1.6589 -2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -0.8245 -3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 0.1268 -2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0717 -0.7487 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8898 -2.5136 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -4.4221 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2327 -1.9313 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 -4.1536 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 7 2 0 0 0 0 3 12 1 0 0 0 0 4 18 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 10 17 2 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 23 2 0 0 0 0 16 32 1 0 0 0 0 17 23 1 0 0 0 0 17 33 1 0 0 0 0 18 24 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$