BNV6S3
-OEChem-04012118132D
68 70 0 1 0 0 0 0 0999 V2000
12.7425 3.4366 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
7.0628 1.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -3.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7640 3.2303 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
12.1212 1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9288 -0.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9288 -1.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0628 -1.8384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1968 -1.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2868 -1.8452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8750 -0.0337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0628 0.1616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1968 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2787 -2.8868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8750 -1.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0789 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4586 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3599 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9288 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1857 0.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3433 -3.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2945 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 -2.8941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1642 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5179 1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4749 2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4534 2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0188 -2.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8022 -2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9329 -0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7148 0.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5259 0.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9847 0.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5862 -0.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2820 -3.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6240 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4124 -1.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2969 -3.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6880 -2.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9195 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9195 -0.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7835 -3.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5818 -3.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7681 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9700 -0.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5488 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9288 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3088 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3783 1.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9460 -3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7443 -3.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9145 -0.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2993 -0.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6745 -0.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2075 -1.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8004 -1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8686 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5259 1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1848 0.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7780 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9793 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1038 2.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0564 1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4543 2.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8611 2.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12 2 1 6 0 0 0
2 60 1 0 0 0 0
25 3 1 6 0 0 0
3 66 1 0 0 0 0
4 29 1 0 0 0 0
5 29 2 0 0 0 0
6 7 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
6 20 1 1 0 0 0
7 8 1 0 0 0 0
7 15 1 0 0 0 0
7 30 1 6 0 0 0
8 9 1 0 0 0 0
8 16 1 0 0 0 0
8 31 1 1 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 32 1 6 0 0 0
10 14 1 0 0 0 0
10 19 1 0 0 0 0
10 23 1 1 0 0 0
11 17 1 0 0 0 0
11 21 1 0 0 0 0
11 33 1 6 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 18 1 0 0 0 0
14 22 1 0 0 0 0
14 37 1 1 0 0 0
15 17 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 18 1 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
18 44 1 0 0 0 0
18 45 1 0 0 0 0
19 24 1 0 0 0 0
19 46 1 0 0 0 0
19 47 1 0 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
20 50 1 0 0 0 0
21 26 1 0 0 0 0
21 27 1 6 0 0 0
21 51 1 0 0 0 0
22 25 1 0 0 0 0
22 52 1 0 0 0 0
22 53 1 0 0 0 0
23 54 1 0 0 0 0
23 55 1 0 0 0 0
23 56 1 0 0 0 0
24 25 1 0 0 0 0
24 57 1 0 0 0 0
24 58 1 0 0 0 0
25 59 1 0 0 0 0
26 28 1 0 0 0 0
26 61 1 0 0 0 0
26 62 1 0 0 0 0
27 63 1 0 0 0 0
27 64 1 0 0 0 0
27 65 1 0 0 0 0
28 29 1 0 0 0 0
28 67 1 0 0 0 0
28 68 1 0 0 0 0
M CHG 2 1 1 4 -1
M END
$$$$