BXSE29
-OEChem-04042103503D
57 59 0 0 0 0 0 0 0999 V2000
-0.5632 2.5682 -1.1525 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0918 -1.6941 -0.2922 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0556 2.1408 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1973 1.5511 0.8320 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3692 1.1150 0.3156 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6981 0.8966 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3971 0.1124 -0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4573 2.3821 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2471 0.7262 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2726 2.9206 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8156 0.3406 -1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9211 2.6990 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4136 -0.9086 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3444 2.2775 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4965 -0.8198 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8847 -2.1563 -0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0504 -1.9785 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4383 -3.3151 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5212 -3.2260 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0943 0.4449 1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4041 -0.1146 0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1519 -0.8317 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8957 0.0720 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8825 -1.1761 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3910 -1.3625 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1348 -0.4588 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8356 -0.9922 -1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3136 -1.2125 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9876 0.8141 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5151 -0.9273 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1272 0.0918 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3545 2.9626 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2674 2.5287 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3417 0.1503 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4470 0.6091 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5175 2.9133 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 3.9663 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6163 1.0846 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4617 0.1476 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9240 2.4134 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9240 3.7962 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9163 0.1464 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0472 -2.2422 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8931 -1.9093 1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0277 -4.2867 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9839 1.3264 1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9526 -4.1282 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7643 0.2592 2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7817 -0.9852 2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3318 0.6209 -1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9692 -1.9202 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4682 -0.3148 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5615 -1.3734 -2.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6536 0.0891 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5539 -2.2805 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6004 -0.8486 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9153 -0.6958 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 24 1 0 0 0 0
2 27 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
3 12 1 0 0 0 0
4 5 1 0 0 0 0
4 14 1 0 0 0 0
4 46 1 0 0 0 0
5 20 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 10 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 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 38 1 0 0 0 0
11 39 1 0 0 0 0
12 14 1 0 0 0 0
12 40 1 0 0 0 0
12 41 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
15 17 1 0 0 0 0
15 42 1 0 0 0 0
16 18 2 0 0 0 0
16 43 1 0 0 0 0
17 19 2 0 0 0 0
17 44 1 0 0 0 0
18 19 1 0 0 0 0
18 45 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 2 0 0 0 0
21 23 1 0 0 0 0
22 25 1 0 0 0 0
22 49 1 0 0 0 0
23 26 2 0 0 0 0
23 50 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 51 1 0 0 0 0
26 52 1 0 0 0 0
27 28 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
28 55 1 0 0 0 0
28 56 1 0 0 0 0
28 57 1 0 0 0 0
M END
$$$$