BS86NI -OEChem-04022106063D 71 74 0 1 0 0 0 0 0999 V2000 3.6809 0.8843 2.3401 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 -2.5240 -2.1852 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 5.5189 1.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5269 5.4371 0.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -3.7940 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3321 1.9510 -0.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 0.4153 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9489 2.6687 -0.4417 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7553 2.1847 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 0.7942 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4485 1.3583 -0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2217 0.2972 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 3.6662 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 1.1254 -1.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9823 -1.0089 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -1.2499 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 -0.1904 -2.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4482 4.9522 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9647 -3.5701 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9857 -4.7108 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -4.2766 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4461 -1.8857 1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 -1.8758 2.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 -2.8427 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -2.7362 3.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4395 -0.9248 1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -0.9209 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7131 -2.8389 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 -1.8779 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 -2.6943 4.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 0.0728 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 1.3915 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 1.5002 -1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 1.7752 1.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7368 2.3372 -2.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0532 1.5913 -1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6344 3.1045 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1003 2.0924 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 2.8751 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2476 0.8651 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4137 0.1686 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 3.9244 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 3.2294 0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 1.9384 -2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6285 -1.7953 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3561 -0.3904 -2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8881 -3.2413 -0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9853 -3.9260 -1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -5.0913 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -5.5249 -0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9433 6.3599 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 -5.1405 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 -3.5151 -2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -0.8432 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 -2.2146 1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 -2.3896 3.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -3.7764 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 -0.1874 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 -3.5832 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -1.9008 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -1.6724 4.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6657 -3.0688 3.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 -3.3168 5.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 0.4432 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5252 2.5113 2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 2.2378 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9087 2.0356 -3.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 3.4010 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6264 0.9839 -1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2743 1.2467 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 2.6210 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 34 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 51 1 0 0 0 0 4 18 2 0 0 0 0 5 21 1 0 0 0 0 5 24 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 31 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 2 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 17 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 28 1 0 0 0 0 25 30 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 M END $$$$