B1KRA8 -OEChem-04042107223D 38 38 0 0 0 0 0 0 0999 V2000 3.6256 0.0011 0.1214 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 -0.0044 0.1225 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -0.4781 0.0892 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9197 0.4746 0.0913 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1261 0.1430 0.8208 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3408 1.5029 1.2527 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1161 -0.1483 0.8218 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 -1.5086 1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -0.3743 -0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 0.3730 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 0.9775 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 1.3559 -0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 -1.3479 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -0.9695 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 -0.7690 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 0.7768 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 -2.0863 -1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1289 2.0862 -1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 0.3289 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 -0.3337 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 1.7541 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 2.4143 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5658 -2.4085 -0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 -1.7419 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 -2.8364 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -2.4551 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 -1.9388 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 2.4150 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0584 1.9723 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2668 2.8551 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7076 0.8223 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5824 -0.6825 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 1.7737 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9869 2.1338 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6974 -0.8287 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5725 0.6778 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3532 -1.7790 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9763 -2.1407 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 2 0 0 0 0 2 4 1 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 19 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 20 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 20 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END $$$$