D03PKI -OEChem-10101305032D 80 81 0 1 0 0 0 0 0999 V2000 5.4641 2.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9940 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5372 -1.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2188 -0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -0.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6671 1.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.1855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.6855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 -0.0392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5457 -1.0052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6139 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0457 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9600 0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3727 -2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 -2.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8727 -3.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5541 1.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 2.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 2.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 0.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.6486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9545 -0.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1755 -0.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1755 -0.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 -0.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3557 -2.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 -2.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8085 -1.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 1.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3471 -2.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 -2.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4927 -1.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4991 -3.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3358 -2.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 -3.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4096 -3.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2659 0.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5066 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 26 1 0 0 0 0 15 2 1 1 0 0 0 2 56 1 0 0 0 0 23 3 1 1 0 0 0 3 34 1 0 0 0 0 4 24 1 0 0 0 0 4 36 1 0 0 0 0 27 5 1 6 0 0 0 5 37 1 0 0 0 0 6 25 2 0 0 0 0 7 30 2 0 0 0 0 8 34 2 0 0 0 0 9 35 2 0 0 0 0 10 29 1 0 0 0 0 10 35 1 0 0 0 0 10 67 1 0 0 0 0 11 34 1 0 0 0 0 11 79 1 0 0 0 0 11 80 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 1 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 1 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 2 3 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 30 1 0 0 0 0 25 29 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 32 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 31 65 1 0 0 0 0 32 33 2 3 0 0 0 32 66 1 0 0 0 0 33 39 1 0 0 0 0 33 68 1 0 0 0 0 35 38 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 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 39 2 3 0 0 0 38 40 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 M END $$$$