1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
|
Nanosyn NS35893
Marvin 02150814413D
48 50 0 0 0 0 999 V2000
-4.9436 10.9361 0.8455 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6622 10.6845 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7916 12.0959 1.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5716 12.0867 2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 13.1942 2.8634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3212 13.2014 3.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0833 14.2933 2.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8421 15.0912 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3027 14.2973 2.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9331 15.0989 2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6647 13.1941 1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5463 13.1824 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9731 10.8689 1.8033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6774 10.5569 2.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 11.2664 2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9350 9.3918 1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 9.1058 2.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 7.8964 2.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8818 7.7178 2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4485 6.9220 1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7588 7.1859 0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3445 8.4611 0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 8.7063 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 6.1865 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5198 6.1823 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0905 5.1755 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2941 6.5128 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2323 6.4496 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6307 7.5346 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1004 5.5544 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7936 4.5237 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1662 5.6467 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8705 5.8833 -4.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 6.9067 -4.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7988 5.8287 -4.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6203 4.9171 -5.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6959 4.9866 -4.8993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3039 3.8901 -4.8818 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3451 5.2378 -6.5688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2771 5.1575 -6.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 4.5323 -7.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6797 6.2494 -6.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 5.8454 1.1744 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8044 5.2214 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8275 9.9213 3.2197 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6100 9.7468 3.5858 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9929 10.1658 1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1498 8.9552 1.1872 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
11 12 1 0 0 0 0
11 3 1 0 0 0 0
4 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 16 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
39 42 1 0 0 0 0
20 43 1 0 0 0 0
43 44 1 0 0 0 0
17 45 1 0 0 0 0
45 46 1 0 0 0 0
13 47 1 0 0 0 0
47 1 1 0 0 0 0
47 48 2 0 0 0 0
M END
|
