ATOM 106
1 C1y C 37.3008 -15.8433
2 C1x C 37.3324 -14.4773
3 O2x O 38.4628 -16.5422
4 C1z C 38.5252 -13.8326
5 C1y C 39.6556 -15.8976
6 C1y C 39.6871 -14.5314
7 C1a C 37.5962 -12.8521
8 N1b N 39.5207 -12.8964
9 C1a C 40.8252 -16.5965
10 O1a O 40.8876 -13.8869
11 C1b C 39.8962 -11.5788
12 C8y C 41.2641 -11.6092
13 C8x C 41.9219 -12.8092
14 C8x C 41.9746 -10.4396
15 C8x C 43.3426 -10.4700
16 C8y C 44.0003 -11.6701
17 C8y C 45.3685 -11.7005
18 C8x C 43.2900 -12.8396
19 C8x C 46.0262 -12.9003
20 C8x C 46.0787 -10.5309
21 C8x C 47.4467 -10.5613
22 C8y C 48.1046 -11.7611
23 C8x C 47.3941 -12.9307
24 X Cl 49.4726 -11.7916
25 C8y C 36.1065 -24.2201
26 C8y C 34.9225 -24.8883
27 C8y C 37.2781 -24.9030
28 O2a O 36.1118 -22.8611
29 C8x C 34.9172 -26.2550
30 O2x O 33.7586 -24.2057
31 C8x C 37.2728 -26.2620
32 O2x O 38.4693 -24.2494
33 C1y C 37.2382 -21.0745
34 C8y C 36.0960 -26.9455
35 C8y C 32.5668 -24.8741
36 C8y C 39.6483 -24.9325
37 C1y C 37.2509 -19.7083
38 O2x O 38.4170 -21.7651
39 C1y C 36.1212 -28.3273
40 C8x C 32.5541 -26.2331
41 C8y C 31.3955 -24.1912
42 C8y C 40.8322 -24.2716
43 C8x C 39.6433 -26.2992
44 O2a O 35.6537 -17.8191
45 C1y C 38.4277 -19.0246
46 C1y C 39.6087 -21.0815
47 C5x C 34.9446 -29.0034
48 N1x N 37.2846 -29.0178
49 C8x C 31.3701 -26.9089
50 C8x C 30.2191 -24.8522
51 C8x C 42.0040 -24.9470
52 X Cl 40.8525 -22.9128
53 C8x C 40.8221 -26.9895
54 C1y C 39.6142 -19.7075
55 O1a O 38.4477 -17.6733
56 C1b C 40.7875 -21.7872
57 N1x N 33.7656 -28.3054
58 O5x O 34.9393 -30.3623
59 C5x C 38.4689 -28.3417
60 C8y C 30.2064 -26.2112
61 C8y C 41.9987 -26.3060
62 O1a O 40.8057 -19.0544
63 O1a O 42.1465 -21.8076
64 C1y C 32.5890 -28.9815
65 C1y C 39.6402 -29.0320
66 O5x O 38.4890 -26.9829
67 C1y C 29.0296 -26.8947
68 C1y C 43.1775 -27.0116
69 C8y C 32.5688 -30.3402
70 C5x C 31.4176 -28.2911
71 N1x N 40.8243 -28.3562
72 C1b C 38.4562 -29.7081
73 C1y C 29.0246 -28.2611
74 O1a O 27.8585 -26.1965
75 C1y C 43.1722 -28.3706
76 O1a O 44.3692 -26.3432
77 C8x C 31.3845 -31.0089
78 C8x C 33.7476 -31.0308
79 N1x N 30.2336 -28.9670
80 O5x O 30.4372 -27.3834
81 C5x C 41.9882 -29.0465
82 C5a C 38.4509 -31.0671
83 C5x C 27.8403 -28.9370
84 N1a N 44.3513 -29.0609
85 C8y C 31.3719 -32.3751
86 C8x C 33.7349 -32.3898
87 O5x O 41.9832 -30.4055
88 N1a N 39.6300 -31.7577
89 O5a O 37.2669 -31.7432
90 N1x N 27.8353 -30.2960
91 O5x O 26.6689 -28.2390
92 C8y C 30.1806 -33.0286
93 C8y C 32.5509 -33.0659
94 C1y C 29.0143 -30.9868
95 C8y C 29.0090 -32.3457
96 C8y C 30.1753 -34.3951
97 O1a O 32.5458 -34.4323
98 C6a C 26.7222 -32.2713
99 C8x C 27.8250 -33.0216
100 C8x C 28.9987 -35.0712
101 O1a O 31.3541 -35.0930
102 O6a O 25.3632 -32.2586
103 O6a O 26.7169 -33.6303
104 C8y C 27.8197 -34.3880
105 O1a O 26.6431 -35.0716
106 X Cl 31.4071 -22.8202
BOND 117
1 1 3 1
2 12 13 2
3 2 4 1
4 12 14 1
5 3 5 1
6 14 15 2
7 13 18 1
8 4 6 1
9 15 16 1
10 4 7 1 #Up
11 16 17 1
12 4 8 1 #Down
13 16 18 2
14 5 9 1 #Down
15 17 19 2
16 6 10 1 #Down
17 17 20 1
18 5 6 1
19 20 21 2
20 21 22 1
21 8 11 1
22 22 23 2
23 19 23 1
24 1 2 1
25 22 24 1
26 11 12 1
27 25 26 1
28 25 27 2
29 25 28 1
30 26 29 2
31 26 30 1
32 27 31 1
33 27 32 1
34 33 28 1 #Up
35 29 34 1
36 30 35 1
37 32 36 1
38 33 37 1
39 33 38 1
40 34 39 1
41 35 40 1
42 35 41 2
43 36 42 1
44 36 43 2
45 37 44 1 #Down
46 37 45 1
47 38 46 1
48 39 47 1
49 39 48 1 #Up
50 40 49 2
51 41 50 1
52 42 51 2
53 42 52 1
54 43 53 1
55 45 54 1
56 45 55 1 #Up
57 46 56 1 #Up
58 47 57 1
59 47 58 2
60 48 59 1
61 49 60 1
62 51 61 1
63 54 62 1 #Down
64 56 63 1
65 64 57 1 #Down
66 59 65 1
67 59 66 2
68 60 67 1
69 61 68 1
70 64 69 1
71 64 70 1
72 65 71 1
73 65 72 1 #Up
74 67 73 1
75 67 74 1 #Down
76 68 75 1
77 68 76 1 #Up
78 69 77 1
79 69 78 2
80 70 79 1
81 70 80 2
82 71 81 1
83 72 82 1
84 73 83 1
85 75 84 1 #Up
86 77 85 2
87 78 86 1
88 81 87 2
89 82 88 1
90 82 89 2
91 83 90 1
92 83 91 2
93 85 92 1
94 85 93 1
95 90 94 1
96 92 95 2
97 92 96 1
98 93 97 1
99 94 98 1 #Down
100 95 99 1
101 96 100 2
102 96 101 1
103 98 102 1
104 98 103 2
105 99 104 2
106 104 105 1
107 31 34 2
108 46 54 1
109 50 60 2
110 53 61 2
111 73 79 1 #Down
112 75 81 1
113 86 93 2
114 94 95 1
115 100 104 1
116 1 44 1 #Up
117 41 106 1
|