B4GNJ1 -OEChem-04022101533D 40 42 0 1 0 0 0 0 0999 V2000 -5.4681 -0.5901 1.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 1.8226 0.2334 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.3836 -0.3458 -1.1245 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4694 0.8117 -0.7496 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4641 2.0178 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 -0.4280 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 0.7034 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 0.2658 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 3.1026 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 -1.3048 -2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 -1.6047 -0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4954 0.6452 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -0.4569 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 0.4929 -1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -0.5368 0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 -1.6606 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 -0.9528 1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 -0.0028 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -0.7257 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5777 -1.2529 1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 1.3467 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 2.5227 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8331 2.6553 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 3.8081 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 3.5590 -0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 2.9857 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 -0.9508 -2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4644 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3061 -2.2643 -1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -2.5093 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 1.5320 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -0.6429 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 1.0551 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 -2.5884 -0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 -1.5127 2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0931 0.1827 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 -0.5121 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 -2.1771 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2387 -1.4889 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6802 0.2789 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 40 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 2 0 0 0 0 11 30 1 0 0 0 0 12 15 2 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$