B1MDR8 -OEChem-04022110272D 67 68 0 1 0 0 0 0 0999 V2000 3.0339 12.6355 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 7.7326 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 6.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 8.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 14.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 13.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 12.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 11.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 9.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 8.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6140 8.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 6.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 9.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 11.8265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 5.7078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 14.3956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 6.6588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2120 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 7.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 10.9130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2651 10.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 8.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 13.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 10.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3127 14.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 13.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 14.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2095 12.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 7.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6215 7.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 5.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 5.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 7.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 7.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 10.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 10.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 9.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 9.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 11.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 15.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 14.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 14.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 12.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5739 12.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 13.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 11.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 7.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 6.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 6.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 7.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 1 27 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 39 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 25 2 0 0 0 0 5 16 1 0 0 0 0 5 31 1 0 0 0 0 8 28 1 0 0 0 0 8 60 1 0 0 0 0 9 28 2 0 0 0 0 10 67 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 48 1 0 0 0 0 23 14 1 6 0 0 0 14 49 1 0 0 0 0 15 22 2 0 0 0 0 16 32 2 0 0 0 0 17 38 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 38 2 0 0 0 0 18 63 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 1 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 29 33 1 0 0 0 0 29 50 1 0 0 0 0 30 34 2 0 0 0 0 30 51 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 33 35 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 38 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 M END $$$$