BHD2I5
-OEChem-04042104543D
49 51 0 1 0 0 0 0 0999 V2000
4.4384 2.5264 -2.5124 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.0619 -0.9158 -1.7782 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6501 2.1026 0.4745 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2608 -1.0435 0.5389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6578 0.1966 0.7595 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8871 0.7331 -0.0453 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4644 0.4580 -0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6532 -0.0088 -0.1056 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5096 0.8813 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4124 -0.5468 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9154 -1.1717 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6494 0.8969 1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4770 -1.7125 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 1.1533 0.2538 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1061 0.1474 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9784 0.9913 0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6552 -2.0012 1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -3.0387 -1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9108 -3.3342 0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4428 1.7649 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4543 -3.8538 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0794 1.6396 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1124 0.4315 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3143 1.7281 -0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3473 0.5197 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4901 0.2881 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4484 1.1682 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7427 -0.8434 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0707 -1.4003 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6680 0.2206 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7179 0.4172 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3118 1.9185 1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8570 1.7255 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0212 1.9719 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0123 -1.6592 2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4328 -3.4334 -2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4676 -3.9668 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5306 2.2757 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2565 2.4982 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6719 0.9987 2.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 -4.8864 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2826 1.0023 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1965 2.0804 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0515 -0.0723 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2304 0.0845 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6477 -0.3127 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4886 1.2515 -2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4060 -0.2398 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4172 1.2293 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 10 1 0 0 0 0
2 13 1 0 0 0 0
3 9 2 0 0 0 0
4 15 2 0 0 0 0
5 9 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
6 8 1 0 0 0 0
6 15 1 0 0 0 0
6 33 1 0 0 0 0
7 14 1 0 0 0 0
7 26 1 0 0 0 0
7 42 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 13 1 0 0 0 0
11 17 2 0 0 0 0
12 16 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 18 2 0 0 0 0
14 15 1 0 0 0 0
14 20 1 0 0 0 0
14 34 1 0 0 0 0
16 22 2 0 0 0 0
16 23 1 0 0 0 0
17 19 1 0 0 0 0
17 35 1 0 0 0 0
18 21 1 0 0 0 0
18 36 1 0 0 0 0
19 21 2 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
22 24 1 0 0 0 0
22 43 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 27 2 0 0 0 0
25 27 1 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
M END
$$$$