B3CLD7
-OEChem-04022103133D
38 40 0 0 0 0 0 0 0999 V2000
4.7503 1.7178 0.1283 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.5100 1.0787 -0.0277 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.5135 2.6340 1.1195 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.4832 2.7011 -1.0481 F 0 0 0 0 0 0 0 0 0 0 0 0
5.0021 2.9300 -0.6383 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2120 1.6249 1.5063 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0772 -5.4823 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0765 0.6113 0.0176 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9440 1.6376 0.0383 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3539 0.3784 -0.7439 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6736 -0.6142 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2951 0.8715 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9633 -1.8691 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0257 -0.3729 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1330 1.0302 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0794 0.3757 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8810 1.6270 -0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0354 1.3912 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4495 0.6356 1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2512 1.8869 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 -2.8082 0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0810 -2.1440 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3659 1.8354 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4730 -4.0220 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6055 -3.3577 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4095 -4.2968 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8206 -1.1046 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 -0.2038 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2857 2.0157 -1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0417 0.2369 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6875 2.4711 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -2.6102 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0772 -1.4331 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6342 -4.7451 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2892 -3.5675 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8678 -0.3400 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7261 0.5512 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8214 -6.0096 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 10 1 0 0 0 0
1 18 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
4 23 1 0 0 0 0
7 26 1 0 0 0 0
7 38 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
9 15 2 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 21 2 0 0 0 0
13 22 1 0 0 0 0
14 15 1 0 0 0 0
14 27 1 0 0 0 0
15 23 1 0 0 0 0
16 19 1 0 0 0 0
16 28 1 0 0 0 0
17 20 2 0 0 0 0
17 29 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 30 1 0 0 0 0
20 31 1 0 0 0 0
21 24 1 0 0 0 0
21 32 1 0 0 0 0
22 25 2 0 0 0 0
22 33 1 0 0 0 0
24 26 2 0 0 0 0
24 34 1 0 0 0 0
25 26 1 0 0 0 0
25 35 1 0 0 0 0
M END
$$$$