B79BVW -OEChem-04042105013D 38 40 0 0 0 0 0 0 0999 V2000 -2.1771 3.4673 -0.1379 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 -1.2956 0.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 1.1271 -1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 -0.3512 -0.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 1.3349 0.4143 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 3.4836 0.5334 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 -1.2710 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 -0.4107 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 -1.1261 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8229 -0.2965 -0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 0.4435 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3107 0.4495 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 0.9094 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 2.7180 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 -0.5023 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 1.8973 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 -1.2219 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -1.1270 1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -2.5663 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 -2.4713 1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 -3.1910 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9821 -1.1165 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5082 -2.2814 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 0.3726 -2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -1.3820 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -0.1462 1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -1.8926 2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -0.4520 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9956 0.6943 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 0.8356 1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -0.5691 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9565 1.7742 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8473 -0.7494 -2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 -0.5799 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -3.1268 -2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -2.9580 1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 4.4573 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 -4.2377 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$