B3NGU0 -OEChem-04022112123D 60 65 0 1 0 0 0 0 0999 V2000 1.6830 0.9960 1.9344 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 0.6659 -3.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 3.4647 -0.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8674 -0.3763 1.9438 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.0243 -1.6303 0.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9557 0.4334 -0.1938 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 -0.3262 1.0601 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 0.8417 -1.0824 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0467 -0.5648 1.0136 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1475 0.1388 -1.3144 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4813 0.5937 0.0236 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0087 0.1140 -2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 -0.1533 -1.4914 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6655 -1.2287 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 1.0590 -1.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -1.4288 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 0.6719 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 0.5237 -2.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 0.3434 0.2814 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2462 -2.1954 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2754 1.2781 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 -2.5894 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4011 0.9510 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6828 -3.3785 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 -3.5728 0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 2.4714 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1917 0.2723 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 0.2713 0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1146 0.4597 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 2.6587 1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 1.6529 1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 -0.8283 1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6294 0.7420 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3033 -1.4572 1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8627 0.1129 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 -0.9866 0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6421 1.6345 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.6364 -3.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 1.0892 -2.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4495 -1.2241 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 0.6455 -2.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 2.0208 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 -0.3742 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 -0.7510 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 -2.0398 -2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 1.2483 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8645 -2.7415 2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 0.8667 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 2.0290 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 -4.1524 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -4.4953 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -0.6209 -0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2202 3.5834 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8247 1.8336 2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 4.2110 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 -1.2060 2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 1.6036 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 -2.3137 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5617 0.4806 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1601 -1.4761 0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 26 1 0 0 0 0 3 55 1 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 43 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 46 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 21 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 22 2 0 0 0 0 17 19 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 28 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 36 2 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$