BA7Y4K -OEChem-04012119512D 108112 0 1 0 0 0 0 0999 V2000 12.4994 -1.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8066 1.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 1.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1673 -2.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8030 3.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 2.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3634 3.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8531 -1.2141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5174 0.2745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8781 -3.6532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -5.6751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 -0.1379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7206 2.2561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -2.0390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0097 3.4129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1637 -0.2636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2103 -2.9089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2317 -3.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -4.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1422 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5209 -1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8495 1.0188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9749 -4.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4959 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4529 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9749 -5.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5047 -4.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1602 1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 -0.3441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8710 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 -3.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4314 1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 -5.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8566 -3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 -4.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7421 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 -5.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0957 2.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 2.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0742 2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5244 -4.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0312 3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3204 4.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6526 5.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2989 4.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9632 6.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6741 4.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6096 5.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9417 6.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5778 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0176 -3.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2112 -2.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6179 -3.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1628 -0.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7561 -0.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2464 -1.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6569 0.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3248 -0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1247 -4.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6855 -4.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 -6.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7071 1.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5428 2.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -0.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 -3.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9744 -0.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4404 0.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6828 0.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8455 0.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 -6.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1784 1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7059 -4.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7059 -5.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6817 3.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2668 3.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0630 -4.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9385 -4.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9859 -3.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4603 1.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 -1.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1346 1.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 -1.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 -2.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 -1.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 4.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 0.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -1.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4238 2.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7130 4.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5492 6.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5462 5.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0674 4.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 4.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2162 5.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1343 6.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 25 2 0 0 0 0 3 31 2 0 0 0 0 4 37 2 0 0 0 0 5 44 1 0 0 0 0 5 97 1 0 0 0 0 6 42 2 0 0 0 0 7 44 2 0 0 0 0 8 52 2 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 9 67 1 0 0 0 0 23 10 1 1 0 0 0 10 25 1 0 0 0 0 10 69 1 0 0 0 0 18 11 1 6 0 0 0 11 37 1 0 0 0 0 11 71 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 72 1 0 0 0 0 30 13 1 6 0 0 0 13 31 1 0 0 0 0 13 77 1 0 0 0 0 14 40 1 0 0 0 0 14 52 1 0 0 0 0 14 92 1 0 0 0 0 15 42 1 0 0 0 0 15 95 1 0 0 0 0 15 96 1 0 0 0 0 16 52 1 0 0 0 0 16 54 1 0 0 0 0 16101 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 17 61 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 62 1 0 0 0 0 19 20 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 24 1 0 0 0 0 20 28 2 0 0 0 0 21 26 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 23 29 1 0 0 0 0 23 31 1 0 0 0 0 23 68 1 0 0 0 0 24 27 1 0 0 0 0 24 32 2 0 0 0 0 26 34 2 0 0 0 0 26 36 1 0 0 0 0 27 35 2 0 0 0 0 28 70 1 0 0 0 0 29 44 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 33 1 0 0 0 0 30 42 1 0 0 0 0 30 75 1 0 0 0 0 32 38 1 0 0 0 0 32 76 1 0 0 0 0 33 39 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 40 1 0 0 0 0 34 80 1 0 0 0 0 35 41 1 0 0 0 0 35 81 1 0 0 0 0 36 43 2 0 0 0 0 36 82 1 0 0 0 0 37 46 1 0 0 0 0 38 41 2 0 0 0 0 38 83 1 0 0 0 0 39 47 2 0 0 0 0 39 48 1 0 0 0 0 40 45 2 0 0 0 0 41 84 1 0 0 0 0 43 45 1 0 0 0 0 43 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 47 49 1 0 0 0 0 47 90 1 0 0 0 0 48 50 2 0 0 0 0 48 91 1 0 0 0 0 49 51 2 0 0 0 0 49 93 1 0 0 0 0 50 51 1 0 0 0 0 50 94 1 0 0 0 0 51 53 1 0 0 0 0 53 98 1 0 0 0 0 53 99 1 0 0 0 0 53100 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 55 57 2 0 0 0 0 55 58 1 0 0 0 0 56 59 1 0 0 0 0 56102 1 0 0 0 0 57 60 1 0 0 0 0 57103 1 0 0 0 0 58104 1 0 0 0 0 58105 1 0 0 0 0 58106 1 0 0 0 0 59 60 2 0 0 0 0 59107 1 0 0 0 0 60108 1 0 0 0 0 M END $$$$