BPTS73
-OEChem-04022102253D
45 47 0 1 0 0 0 0 0999 V2000
-3.2656 -3.6905 1.7790 O 0 5 0 0 0 0 0 0 0 0 0 0
-3.1484 -1.5591 2.2912 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5690 -0.3498 1.8514 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0141 -1.0170 -0.2754 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0278 1.2517 -0.5856 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5816 2.1976 0.1864 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9290 -2.5130 1.5060 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.8536 0.7003 -1.6191 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0513 1.6523 -1.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 2.4165 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7184 3.3983 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2625 -0.6936 -1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2977 0.8189 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1395 2.9498 1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0933 4.7880 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8982 -0.9504 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0080 -1.7381 -2.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0850 0.2750 -1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8034 0.9217 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2795 -2.2518 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3893 -3.0395 -1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0249 -3.2965 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3781 -0.1660 -1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0965 0.4806 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8839 -0.0632 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2325 -0.5220 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 0.7492 -2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0340 1.1756 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 2.3539 -2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6022 3.4203 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 2.9277 2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5676 1.9416 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8951 3.6262 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2213 4.8274 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8171 5.5305 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 5.0863 -0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0935 -0.1363 0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5132 -1.5536 -3.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7296 0.1917 -2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2099 1.3322 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 -3.8527 -2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 -4.3227 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9768 -0.5840 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4500 0.5773 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4801 -0.6622 2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
2 7 2 0 0 0 0
3 26 1 0 0 0 0
3 45 1 0 0 0 0
4 26 2 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 13 1 0 0 0 0
6 10 2 0 0 0 0
7 20 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
11 30 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 20 1 0 0 0 0
16 37 1 0 0 0 0
17 21 2 0 0 0 0
17 38 1 0 0 0 0
18 23 1 0 0 0 0
18 39 1 0 0 0 0
19 24 2 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
21 22 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
23 25 2 0 0 0 0
23 43 1 0 0 0 0
24 25 1 0 0 0 0
24 44 1 0 0 0 0
25 26 1 0 0 0 0
M CHG 2 1 -1 7 1
M END
$$$$