BPU2B9 -OEChem-04022105362D 68 71 0 1 0 0 0 0 0999 V2000 4.9696 2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 1.8473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 3.2485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 3.3418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.1394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7320 -1.3606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7320 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.6394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4641 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6231 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -0.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 -1.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2468 -2.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 2.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4253 4.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 0.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -0.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 1.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -0.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 0.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 -2.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 -2.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -2.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -3.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -4.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -4.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -1.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -3.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0524 0.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5857 0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -1.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -0.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7094 0.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4017 -0.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8683 -0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7593 -0.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -1.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3185 -2.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5648 -1.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6761 -2.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 -2.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9557 -3.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7354 -2.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0318 4.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2964 4.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8189 4.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 3.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9497 3.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 7 2 1 1 0 0 0 2 17 1 0 0 0 0 2 50 1 0 0 0 0 3 11 1 0 0 0 0 3 27 2 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 27 1 0 0 0 0 5 67 1 0 0 0 0 5 68 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 1 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 18 1 1 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 M END $$$$