B5VR6A -OEChem-04022103173D 42 45 0 0 0 0 0 0 0999 V2000 -0.5851 3.4275 0.8611 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 1.6143 -1.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -1.9465 1.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 0.5772 -1.9084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 1.2783 0.4209 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 0.4235 0.1359 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 2.0555 0.6365 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 3.0887 0.8852 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 0.7780 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3766 -0.1442 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6231 2.0137 1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 0.9892 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 2.6028 0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 0.3215 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -1.4710 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -0.3107 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4816 -0.5395 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 -2.3321 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 -0.4776 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4607 -1.8663 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4868 -1.4082 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -1.7420 -1.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 -2.6728 0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 -2.8397 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8761 1.8962 -2.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -3.3158 1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6731 2.2914 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 1.7666 2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3135 -0.1836 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 -3.3739 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2728 -2.5358 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8516 -1.2999 1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7755 -1.8877 -2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 -3.5272 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 -3.8243 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 1.6207 -2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3982 1.3638 -3.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 2.9710 -2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 -3.5107 2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 -3.9865 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 -3.5220 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 0.2636 -2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 25 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$