BTSP48
-OEChem-04012115352D
44 48 0 1 0 0 0 0 0999 V2000
5.5284 -2.2385 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6868 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9816 -4.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8336 3.5533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0985 0.8120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1956 -0.5922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4725 -1.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5747 2.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2020 1.9954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8600 2.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5969 4.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9737 2.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4630 4.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2325 3.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2204 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0048 0.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4409 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6144 -2.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9583 -1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2888 -3.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9767 -2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3072 -3.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6511 -3.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 3.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6657 3.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2742 2.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2922 4.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0540 4.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7787 1.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5676 1.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0447 5.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1998 5.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8265 2.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4274 3.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1664 2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6005 1.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7819 -0.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6956 -4.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5700 -1.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0425 -3.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8817 -4.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3914 -5.0203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1183 -5.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 18 1 0 0 0 0
9 2 1 6 0 0 0
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3 22 1 0 0 0 0
3 24 1 0 0 0 0
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5 15 1 0 0 0 0
5 16 2 0 0 0 0
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6 17 1 0 0 0 0
6 38 1 0 0 0 0
7 17 2 0 0 0 0
7 19 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 15 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 14 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 21 1 0 0 0 0
20 22 2 0 0 0 0
20 39 1 0 0 0 0
21 23 2 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
M END
$$$$