BK7QN6 -OEChem-04012115033D 54 58 0 1 0 0 0 0 0999 V2000 1.1532 2.9264 1.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 1.4461 -1.3676 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.0980 -2.9169 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 1.9646 -0.7347 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 2.4177 0.1989 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -1.5531 2.0656 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 3.0622 -0.7119 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3426 4.0758 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 1.8421 -1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 3.2357 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 0.8634 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 2.7946 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 0.6095 -1.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -0.0140 -1.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 0.6803 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 2.1242 1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.6973 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 -0.3463 1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 -0.4260 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 -1.3446 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9682 -2.0881 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -0.5000 2.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5005 -1.6880 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3263 -0.5422 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0902 -1.3339 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 -3.1622 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 -2.7601 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -3.4846 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8506 -1.5662 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 -2.3581 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9946 -2.4742 1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 3.4230 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5295 4.6630 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 4.7892 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 3.6484 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7363 3.0618 0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 0.2004 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -0.9987 -2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1953 2.3674 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5005 2.3128 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7303 2.8315 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9534 0.5747 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 0.5328 1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 0.0435 3.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -1.8890 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 -1.1265 -1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0167 0.1505 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -1.2722 0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5596 -3.7256 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -4.3146 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9252 -1.6568 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9479 -3.0627 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 -3.2710 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 -2.4948 -3.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 27 1 0 0 0 0 3 54 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 13 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 46 1 0 0 0 0 24 29 1 0 0 0 0 24 47 1 0 0 0 0 25 30 2 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$