B2MDN9 -OEChem-04022104513D 47 50 0 0 0 0 0 0 0999 V2000 -5.8174 -0.1744 -0.0927 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 1.9079 1.4105 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 -1.5748 -0.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2878 -1.0745 0.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 2.0817 -1.2216 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1441 3.0102 -0.3017 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7218 2.2961 1.7308 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -3.1230 -0.5115 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6251 -2.5225 -0.6766 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 1.7034 0.6831 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 2.4973 -0.9421 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3246 2.5958 0.5680 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4728 0.1944 -1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0452 -1.0907 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 -0.0536 -1.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1818 -1.5809 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 -0.8282 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 -1.5803 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -0.8430 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 -2.3022 1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9433 -1.5731 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -2.3004 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 -2.3433 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6428 -2.2420 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 -1.3291 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0665 1.2545 0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8815 1.7360 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4046 2.0614 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 2.4677 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 2.7295 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1298 0.5768 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4264 0.9635 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 -0.9239 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0926 -1.8599 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 -0.6303 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6188 0.9061 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 -0.9322 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 -2.5919 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3871 -0.2834 -1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 -2.8708 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 -2.8846 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 -1.9577 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -3.4033 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 0.9679 1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7985 2.0655 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 1.3897 1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 3.0936 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 27 2 0 0 0 0 6 12 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 46 1 0 0 0 0 11 28 2 0 0 0 0 11 30 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 29 30 2 0 0 0 0 30 47 1 0 0 0 0 M CHG 2 6 -1 12 1 M END $$$$