RDKit 3D
50 52 0 0 0 0 0 0 0 0999 V2000
7.2473 1.1613 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5192 2.1092 0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1263 1.9881 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4551 0.9408 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1959 0.0200 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5987 0.1059 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3903 -0.9210 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7218 -1.8244 -1.9409 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6529 -0.7970 -1.3458 O 0 0 0 0 0 1 0 0 0 0 0 0
3.0886 0.8664 0.2403 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6131 -0.2692 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1395 -0.5096 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3773 -1.0523 1.4335 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8177 -0.0949 -0.6415 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4171 -0.1868 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5334 -0.8357 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7339 -0.8703 -1.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8364 -0.2829 -2.7693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7248 0.3561 -3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 0.4060 -2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 1.2381 -3.3065 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.1502 -1.6621 -0.7852 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.3057 -1.3720 -1.6107 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7793 -3.0261 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3622 -0.8107 0.6786 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6058 0.6636 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2932 1.2326 1.7728 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5875 0.6611 2.0075 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6834 -0.7109 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3420 -1.4489 1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3883 2.9808 1.6399 N 0 0 0 0 0 4 0 0 0 0 0 0
4.6451 4.1728 1.4149 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5767 2.5782 2.4885 O 0 0 0 0 0 1 0 0 0 0 0 0
8.3347 1.2339 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0422 2.9224 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6994 -0.7792 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6896 -0.0564 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1559 -1.1904 0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 0.3938 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4992 -1.3226 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7676 -0.3199 -3.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7935 0.8147 -4.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2425 0.8500 -0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6458 1.1688 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4304 2.3144 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6819 1.0722 2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1130 -0.7222 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3992 -1.2024 2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9038 -1.4063 2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4921 -2.5064 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
4 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
17 22 1 0
22 23 2 0
22 24 2 0
22 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
3 31 1 0
31 32 2 0
31 33 1 0
6 1 1 0
20 15 1 0
30 25 1 0
1 34 1 0
2 35 1 0
5 36 1 0
11 37 1 0
11 38 1 0
14 39 1 0
16 40 1 0
18 41 1 0
19 42 1 0
26 43 1 0
26 44 1 0
27 45 1 0
27 46 1 0
29 47 1 0
29 48 1 0
30 49 1 0
30 50 1 0
M CHG 3 9 -1 31 1 33 -1
M END