1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140
|
ZINC03815325
3D
Structure written by MMmdl.
63 67 0 0 1 0 999 V2000
-1.6858 -5.6180 0.0205 C 0 0 0 0 0 0
-0.9924 -4.3799 0.0814 O 0 0 0 0 0 0
-1.7323 -3.2150 0.0988 C 0 0 0 0 0 0
-3.1446 -3.1805 0.0143 C 0 0 0 0 0 0
-3.8526 -1.9648 0.0282 C 0 0 0 0 0 0
-3.1260 -0.7603 0.1405 C 0 0 0 0 0 0
-1.7172 -0.7762 0.2264 C 0 0 0 0 0 0
-1.0132 -2.0022 0.1968 C 0 0 0 0 0 0
0.3610 -2.0863 0.2617 O 0 0 0 0 0 0
1.1216 -0.8944 0.1626 C 0 0 0 0 0 0
2.5957 -1.3066 0.1060 C 0 0 0 0 0 0
3.5420 -0.1037 -0.0415 C 0 0 0 0 0 0
5.5752 -1.0408 1.0472 C 0 0 0 0 0 0
7.0469 -1.4365 0.8226 C 0 0 0 0 0 0
7.7526 -0.3121 0.3173 O 0 0 0 0 0 0
7.2630 0.1297 -0.9404 C 0 0 0 0 0 0
5.7997 0.5798 -0.7706 C 0 0 0 0 0 0
-3.8868 0.4238 0.1484 C 0 0 0 0 0 0
-5.2197 0.4061 0.0411 N 0 0 0 0 0 0
-5.8012 -0.7821 -0.0589 C 0 0 0 0 0 0
-5.1894 -1.9608 -0.0686 N 0 0 0 0 0 0
-3.2900 1.6234 0.2599 N 0 0 0 0 0 0
-3.8431 2.9367 -0.0129 C 0 0 2 0 0 0
-3.7028 3.5297 -1.3933 C 0 0 0 0 0 0
-2.8629 4.0640 -0.2506 C 0 0 2 0 0 0
-1.3823 3.8068 -0.1641 C 0 0 0 0 0 0
-0.5723 3.8130 -1.3200 C 0 0 0 0 0 0
0.8119 3.5681 -1.2258 C 0 0 0 0 0 0
1.3998 3.3162 0.0288 C 0 0 0 0 0 0
0.5996 3.3069 1.1872 C 0 0 0 0 0 0
-0.7836 3.5536 1.0889 C 0 0 0 0 0 0
4.9640 -0.5113 -0.2029 N 0 3 0 0 0 0
-0.9655 -6.4357 0.0365 H 0 0 0 0 0 0
-2.3488 -5.7466 0.8773 H 0 0 0 0 0 0
-2.2635 -5.7063 -0.9005 H 0 0 0 0 0 0
-3.7336 -4.0782 -0.0695 H 0 0 0 0 0 0
-1.1882 0.1574 0.3095 H 0 0 0 0 0 0
0.8514 -0.3417 -0.7394 H 0 0 0 0 0 0
0.9425 -0.2540 1.0281 H 0 0 0 0 0 0
2.8211 -1.8713 1.0108 H 0 0 0 0 0 0
2.7302 -1.9936 -0.7308 H 0 0 0 0 0 0
3.2305 0.4639 -0.9208 H 0 0 0 0 0 0
3.4367 0.5723 0.8096 H 0 0 0 0 0 0
5.5192 -0.2862 1.8345 H 0 0 0 0 0 0
5.0283 -1.9121 1.4086 H 0 0 0 0 0 0
7.5024 -1.7477 1.7636 H 0 0 0 0 0 0
7.1314 -2.2796 0.1345 H 0 0 0 0 0 0
7.8767 0.9618 -1.2879 H 0 0 0 0 0 0
7.3521 -0.6640 -1.6845 H 0 0 0 0 0 0
5.4031 0.8950 -1.7375 H 0 0 0 0 0 0
5.7618 1.4524 -0.1149 H 0 0 0 0 0 0
-6.8781 -0.7912 -0.1412 H 0 0 0 0 0 0
-2.2895 1.6272 0.3622 H 0 0 0 0 0 0
-4.7607 3.1374 0.5385 H 0 0 0 0 0 0
-3.2244 2.9178 -2.1553 H 0 0 0 0 0 0
-4.5289 4.1458 -1.7436 H 0 0 0 0 0 0
-3.1156 5.0495 0.1380 H 0 0 0 0 0 0
-1.0130 4.0185 -2.2856 H 0 0 0 0 0 0
1.4200 3.5958 -2.1184 H 0 0 0 0 0 0
2.4646 3.1581 0.1056 H 0 0 0 0 0 0
1.0443 3.1343 2.1569 H 0 0 0 0 0 0
-1.3922 3.5593 1.9832 H 0 0 0 0 0 0
4.9727 -1.2620 -0.8816 H 0 0 0 0 0 0
1 2 1 0 0 0
1 33 1 0 0 0
1 34 1 0 0 0
1 35 1 0 0 0
2 3 1 0 0 0
3 8 2 0 0 0
3 4 1 0 0 0
4 5 2 0 0 0
4 36 1 0 0 0
5 21 1 0 0 0
5 6 1 0 0 0
6 7 2 0 0 0
6 18 1 0 0 0
7 8 1 0 0 0
7 37 1 0 0 0
8 9 1 0 0 0
9 10 1 0 0 0
10 11 1 0 0 0
10 38 1 0 0 0
10 39 1 0 0 0
11 12 1 0 0 0
11 40 1 0 0 0
11 41 1 0 0 0
12 32 1 0 0 0
12 42 1 0 0 0
12 43 1 0 0 0
13 14 1 0 0 0
13 32 1 0 0 0
13 44 1 0 0 0
13 45 1 0 0 0
14 15 1 0 0 0
14 46 1 0 0 0
14 47 1 0 0 0
15 16 1 0 0 0
16 17 1 0 0 0
16 48 1 0 0 0
16 49 1 0 0 0
17 32 1 0 0 0
17 50 1 0 0 0
17 51 1 0 0 0
18 19 2 0 0 0
18 22 1 0 0 0
19 20 1 0 0 0
20 21 2 0 0 0
20 52 1 0 0 0
22 23 1 0 0 0
22 53 1 0 0 0
23 25 1 0 0 0
23 24 1 0 0 0
23 54 1 0 0 0
24 25 1 0 0 0
24 55 1 0 0 0
24 56 1 0 0 0
25 26 1 0 0 0
25 57 1 0 0 0
26 31 2 0 0 0
26 27 1 0 0 0
27 28 2 0 0 0
27 58 1 0 0 0
28 29 1 0 0 0
28 59 1 0 0 0
29 30 2 0 0 0
29 60 1 0 0 0
30 31 1 0 0 0
30 61 1 0 0 0
31 62 1 0 0 0
32 63 1 0 0 0
M CHG 1 32 1
M END
> <id>
ZINC03815325
$$$$
|