B4U5DJ -OEChem-04042101513D 39 42 0 1 0 0 0 0 0999 V2000 -2.9046 2.1915 1.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -2.6532 1.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -0.2760 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -2.4411 0.0154 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 1.4992 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 -0.9472 0.0125 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 0.9342 -0.0190 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0752 0.9980 -1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 1.0125 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 2.1937 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -0.3375 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.5867 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7961 2.2027 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -1.6573 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9507 0.6583 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -1.9486 0.0034 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2783 0.3164 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 -1.9363 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 2.0532 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5567 -2.8294 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 2.5537 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 1.8236 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 0.1061 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 1.1075 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 1.0939 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 0.1626 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 3.1134 -1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7103 2.1791 -2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4033 3.1109 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4745 1.3441 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8406 -1.1145 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1773 -2.9510 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 2.7175 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 -3.7871 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.3360 -2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6263 -3.0631 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9749 1.5934 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 3.5699 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4442 -2.8689 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 39 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 4 14 1 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 5 37 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$