B3XIG9
-OEChem-04012113173D
53 56 0 0 0 0 0 0 0999 V2000
4.3766 -1.2016 -0.0966 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7018 -0.6249 0.6750 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7133 0.5400 1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0357 0.7740 0.9912 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5168 -1.5758 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3601 -2.6184 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1489 -0.1891 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8290 -2.5489 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6249 -0.1999 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0741 -1.5823 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7940 -1.1642 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4081 0.1820 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0518 -0.3860 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9787 0.4293 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3945 1.1568 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7092 -1.1071 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5475 1.6765 -1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9632 2.4041 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5397 2.6638 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0547 -0.8689 -0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6791 0.0788 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0777 0.3911 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6877 0.2662 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8311 0.8197 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0407 0.5680 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1842 1.1214 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7890 0.9955 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 -1.8291 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2865 -2.4596 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9724 -3.6244 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 0.5584 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0600 0.1432 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9242 -2.8532 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3903 -3.2747 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9676 0.8163 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7122 -0.3761 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3410 -2.5891 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0570 -1.3409 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 -1.9211 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9462 -1.4267 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2809 -0.1109 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9883 -0.3317 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9639 0.9650 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2184 -1.8558 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9960 1.8789 -2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9604 3.1718 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9831 3.6347 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5712 -1.4480 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1371 -0.0394 -2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3935 0.9183 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5109 0.4756 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7679 1.4522 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8424 1.2311 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 10 1 0 0 0 0
2 13 1 0 0 0 0
2 41 1 0 0 0 0
3 4 1 0 0 0 0
3 13 2 0 0 0 0
4 21 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
5 28 1 0 0 0 0
6 8 1 0 0 0 0
6 29 1 0 0 0 0
6 30 1 0 0 0 0
7 9 1 0 0 0 0
7 31 1 0 0 0 0
7 32 1 0 0 0 0
8 33 1 0 0 0 0
8 34 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 12 1 0 0 0 0
11 39 1 0 0 0 0
11 40 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 42 1 0 0 0 0
15 18 2 0 0 0 0
15 43 1 0 0 0 0
16 20 2 0 0 0 0
16 44 1 0 0 0 0
17 19 2 0 0 0 0
17 45 1 0 0 0 0
18 19 1 0 0 0 0
18 46 1 0 0 0 0
19 47 1 0 0 0 0
20 21 1 0 0 0 0
20 48 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 49 1 0 0 0 0
24 26 2 0 0 0 0
24 50 1 0 0 0 0
25 27 2 0 0 0 0
25 51 1 0 0 0 0
26 27 1 0 0 0 0
26 52 1 0 0 0 0
27 53 1 0 0 0 0
M END
$$$$