B1JIG4 -OEChem-04022118083D 56 59 0 1 0 0 0 0 0999 V2000 6.6164 -0.6145 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0109 1.9385 -0.5965 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 0.3633 1.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 1.2197 -0.9305 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 0.0122 -0.4159 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9754 -1.0776 0.3612 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2669 0.2902 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 -0.9351 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 -1.8896 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 -0.9538 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0519 0.9541 -1.3164 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9710 0.9381 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 -0.3460 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 -1.4475 1.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4816 1.9795 -2.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1145 0.1238 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -0.2315 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -1.3332 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6499 1.7718 0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2606 -0.7252 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 0.1558 1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 1.8033 2.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4529 -0.7214 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6056 1.0011 2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0875 -0.6583 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5928 -1.5236 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4085 -1.4921 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1552 0.5034 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4767 0.8948 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 -0.5192 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6902 -1.5829 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0857 0.6732 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 1.0516 -0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 -1.4802 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 -0.4004 -2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 -2.7301 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.3128 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1262 1.5633 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -0.0119 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 0.0337 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -1.9237 2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 3.0019 -1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 1.7906 -2.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 1.9352 -3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 0.2227 -1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -1.7195 2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 2.4317 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2188 2.4567 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8749 -0.7824 -2.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2294 1.0428 3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7397 -0.6498 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8465 -2.1699 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2963 -2.1161 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3152 0.2222 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5054 1.3835 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 2.2148 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 56 1 0 0 0 0 3 29 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 38 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 14 18 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 21 1 0 0 0 0 16 23 2 0 0 0 0 17 20 2 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$