B16NHF -OEChem-04012113222D 68 72 0 1 0 0 0 0 0999 V2000 8.6460 -0.2477 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 -1.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 -0.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 -4.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 -0.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6460 -0.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1428 -2.1956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 -2.6487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 -1.2477 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3944 3.7869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1706 -1.9880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6721 -2.8549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5002 -1.2461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3404 -3.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -1.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 -1.8354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8859 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7064 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 -2.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1460 -2.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4550 -1.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4059 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 2.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4059 2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3120 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3120 2.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 4.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5226 4.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -1.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2493 -3.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 -0.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8402 -3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6521 -4.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 -3.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8538 -3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 -1.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -0.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 0.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 -0.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5395 -2.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2108 -3.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 -3.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 -2.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0214 -2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 -1.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -2.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -2.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -3.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 0.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 2.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 0.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 3.3723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8477 0.9195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8477 2.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 3.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 4.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9384 4.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8264 4.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 4.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2189 3.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 23 2 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 10 32 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 6 0 0 0 12 14 1 0 0 0 0 12 38 1 1 0 0 0 13 16 1 0 0 0 0 13 19 1 1 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 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 17 18 1 1 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 33 2 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 M END $$$$