B3KGX2 -OEChem-04042104303D 45 47 0 1 0 0 0 0 0999 V2000 4.6628 1.1464 0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3436 3.1879 -0.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6202 2.2075 -0.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5545 -2.4814 -0.5416 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7987 -2.7462 -0.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8842 0.1005 0.7183 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 -0.1553 0.8244 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2793 -0.1146 -0.7687 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -2.6389 1.8929 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 1.8292 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 0.6119 0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 2.0314 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 1.0217 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3293 0.0891 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -0.4918 -0.6040 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4230 0.3898 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 2.8025 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -0.3314 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 1.3674 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1141 1.1727 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 2.5711 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8269 -2.0099 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 -0.0853 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4448 -1.6055 1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6972 -0.6412 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 -0.7696 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 -1.8818 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 -2.0101 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 -2.5662 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -0.4981 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 1.1204 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3186 -0.1180 -1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7995 -0.5360 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.7524 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -0.7238 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5503 3.3339 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6154 -0.4308 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 0.9014 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7198 3.9210 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 -0.1199 -1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 -0.3413 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -2.3127 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -2.5430 0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -3.5315 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5255 -3.4615 -0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 12 1 0 0 0 0 2 39 1 0 0 0 0 3 20 2 0 0 0 0 4 22 1 0 0 0 0 4 45 1 0 0 0 0 5 22 2 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 13 1 0 0 0 0 7 18 2 0 0 0 0 8 15 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 24 3 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 22 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 21 2 0 0 0 0 17 34 1 0 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 21 36 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 29 2 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M END $$$$