B2JKI8 -OEChem-04042106173D 45 47 0 1 0 0 0 0 0999 V2000 1.9252 -2.1704 -2.7771 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 1.9644 0.5680 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 2.8214 1.9776 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6974 0.8330 2.3352 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 -2.9210 0.7083 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 2.0521 -0.3365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 0.4260 -1.9143 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 2.7292 -2.2828 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7985 -0.9229 0.4034 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4132 -0.6803 -1.0341 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5706 -0.1847 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 1.0657 0.5994 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2484 -1.2676 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 -1.7795 -1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 1.6841 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1264 1.6520 -1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 -0.6994 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 -2.3678 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0812 -1.2312 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3997 -2.8997 1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 -2.3315 1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 -0.6419 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 0.7133 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -1.4100 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 1.2513 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9155 0.3985 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 0.8754 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3872 1.2767 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7631 1.7648 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 0.0659 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -0.9469 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 0.8500 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 -2.6616 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -1.3950 -2.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1943 0.1321 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 -3.7526 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -2.7611 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 2.6112 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 3.6771 -1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7186 1.3912 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5104 -2.4795 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 2.3092 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8892 2.4331 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4651 0.9331 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0335 2.3181 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 5 18 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 24 1 0 0 0 0 9 26 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 28 3 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$