BJL1Q0
-OEChem-04022100332D
138141 0 1 0 0 0 0 0999 V2000
21.5613 -9.1454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
25.6300 -9.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.9238 -4.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7421 -2.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1852 0.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8781 3.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9390 1.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6034 0.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6140 7.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1817 -1.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0106 7.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8925 -0.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9676 6.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6534 5.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2462 -1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.0422 -8.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
24.0422 -9.9544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.2774 -4.8705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2317 3.0205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.0993 -0.4497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8961 1.5319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2568 5.4596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.0911 -8.6454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
23.0911 -9.6454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
22.1449 -8.3407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
22.1449 -9.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8343 -7.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6300 -9.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8558 -7.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5451 -6.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5666 -6.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2559 -5.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9668 -3.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9883 -3.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6776 -2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6991 -2.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3884 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5209 1.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5424 2.0700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.8316 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8101 0.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1207 -0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4099 -1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8746 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5889 4.7153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8996 3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2282 0.7876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6104 4.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5389 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2998 5.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2497 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5819 0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8710 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9461 6.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3212 6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3033 8.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9355 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 -0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9711 8.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6605 9.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9496 8.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3142 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5998 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3283 10.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6175 9.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3068 10.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.0900 -7.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0900 -10.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.5324 -8.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6075 -10.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22.3960 -10.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4481 -7.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.8548 -6.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
24.2338 -7.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
24.2338 -10.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.2419 -7.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8352 -7.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1589 -6.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.5657 -5.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.9528 -6.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5460 -6.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8634 -5.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5806 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9873 -3.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3744 -3.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9677 -4.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2914 -2.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6982 -2.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0853 -2.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6785 -3.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0022 -1.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4090 -0.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1347 1.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5415 2.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9565 2.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2178 0.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8110 0.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4239 0.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8306 1.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5069 -0.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1002 -0.8632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6251 3.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5133 0.0117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3963 5.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8349 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7034 2.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9966 4.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5899 4.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9214 -0.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0858 0.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9136 5.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3203 6.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8634 5.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3506 -0.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1082 -0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7676 -2.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9207 8.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7564 7.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4039 7.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 1.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8966 -1.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0538 9.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1423 8.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7757 1.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7283 2.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8527 2.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0105 -1.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7924 -2.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1892 -1.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 0.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1357 11.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2242 9.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7209 10.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
1 26 1 0 0 0 0
2 28 2 0 0 0 0
3 32 2 0 0 0 0
4 43 2 0 0 0 0
5 44 2 0 0 0 0
6 46 2 0 0 0 0
7 51 2 0 0 0 0
8 52 1 0 0 0 0
8 57 1 0 0 0 0
9 54 1 0 0 0 0
9 56 1 0 0 0 0
10 53 1 0 0 0 0
10121 1 0 0 0 0
11 55 1 0 0 0 0
11124 1 0 0 0 0
12 53 2 0 0 0 0
13 54 2 0 0 0 0
14 55 2 0 0 0 0
15 57 2 0 0 0 0
16 23 1 0 0 0 0
16 28 1 0 0 0 0
16 79 1 0 0 0 0
17 24 1 0 0 0 0
17 28 1 0 0 0 0
17 80 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
18 87 1 0 0 0 0
39 19 1 1 0 0 0
19 46 1 0 0 0 0
19107 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
20108 1 0 0 0 0
21 44 1 0 0 0 0
47 21 1 1 0 0 0
21111 1 0 0 0 0
45 22 1 6 0 0 0
22 54 1 0 0 0 0
22118 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 72 1 6 0 0 0
24 26 1 0 0 0 0
24 73 1 6 0 0 0
25 27 1 0 0 0 0
25 74 1 0 0 0 0
26 75 1 0 0 0 0
26 76 1 0 0 0 0
27 29 1 0 0 0 0
27 77 1 0 0 0 0
27 78 1 0 0 0 0
29 30 1 0 0 0 0
29 81 1 0 0 0 0
29 82 1 0 0 0 0
30 31 1 0 0 0 0
30 83 1 0 0 0 0
30 84 1 0 0 0 0
31 32 1 0 0 0 0
31 85 1 0 0 0 0
31 86 1 0 0 0 0
33 34 1 0 0 0 0
33 88 1 0 0 0 0
33 89 1 0 0 0 0
34 35 1 0 0 0 0
34 90 1 0 0 0 0
34 91 1 0 0 0 0
35 36 1 0 0 0 0
35 92 1 0 0 0 0
35 93 1 0 0 0 0
36 37 1 0 0 0 0
36 94 1 0 0 0 0
36 95 1 0 0 0 0
37 43 1 0 0 0 0
37 96 1 0 0 0 0
37 97 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
38 98 1 0 0 0 0
38 99 1 0 0 0 0
39 44 1 0 0 0 0
39100 1 0 0 0 0
40 41 1 0 0 0 0
40101 1 0 0 0 0
40102 1 0 0 0 0
41 42 1 0 0 0 0
41103 1 0 0 0 0
41104 1 0 0 0 0
42105 1 0 0 0 0
42106 1 0 0 0 0
45 46 1 0 0 0 0
45 48 1 0 0 0 0
45109 1 0 0 0 0
47 49 1 0 0 0 0
47 51 1 0 0 0 0
47110 1 0 0 0 0
48 50 1 0 0 0 0
48112 1 0 0 0 0
48113 1 0 0 0 0
49 53 1 0 0 0 0
49114 1 0 0 0 0
49115 1 0 0 0 0
50 55 1 0 0 0 0
50116 1 0 0 0 0
50117 1 0 0 0 0
51 52 1 0 0 0 0
52119 1 0 0 0 0
52120 1 0 0 0 0
56 59 1 0 0 0 0
56122 1 0 0 0 0
56123 1 0 0 0 0
57 58 1 0 0 0 0
58 60 2 0 0 0 0
58 61 1 0 0 0 0
59 64 2 0 0 0 0
59 65 1 0 0 0 0
60 62 1 0 0 0 0
60 66 1 0 0 0 0
61 63 2 0 0 0 0
61 67 1 0 0 0 0
62 68 2 0 0 0 0
62125 1 0 0 0 0
63 68 1 0 0 0 0
63126 1 0 0 0 0
64 69 1 0 0 0 0
64127 1 0 0 0 0
65 70 2 0 0 0 0
65128 1 0 0 0 0
66129 1 0 0 0 0
66130 1 0 0 0 0
66131 1 0 0 0 0
67132 1 0 0 0 0
67133 1 0 0 0 0
67134 1 0 0 0 0
68135 1 0 0 0 0
69 71 2 0 0 0 0
69136 1 0 0 0 0
70 71 1 0 0 0 0
70137 1 0 0 0 0
71138 1 0 0 0 0
M END
$$$$