0 mol 24 unq 0 iso 0 dist 6.11056 6.40447 8.09311 3.96014 9.05357 9.95274 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.11056 3.96014 9.05357 6.40447 8.09311 9.95274 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 6.29702 4.79873 13.591 9.48085 12.7147 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.40051 13.591 9.48085 6.29702 4.79873 12.7147 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.6396 10.0172 7.52933 5.23233 6.55597 6.53015 numMergedOcc 0
5 mol 25 unq 1 iso 1 dist 8.6396 5.23233 6.55597 10.0172 7.52933 6.53015 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.6396 10.0172 7.52933 13.5673 9.71956 11.8984 numMergedOcc 0
7 mol 25 unq 2 iso 1 dist 8.6396 13.5673 9.71956 10.0172 7.52933 11.8984 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.6396 10.0172 7.52933 10.4709 7.07751 8.64476 numMergedOcc 0
9 mol 25 unq 3 iso 1 dist 8.6396 10.4709 7.07751 10.0172 7.52933 8.64476 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 8.6396 10.0172 7.52933 12.2787 8.23761 4.64241 numMergedOcc 0
11 mol 25 unq 4 iso 1 dist 8.6396 12.2787 8.23761 10.0172 7.52933 4.64241 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 8.6396 10.0172 7.52933 13.591 9.49421 16.0628 numMergedOcc 0
13 mol 25 unq 5 iso 1 dist 8.6396 13.591 9.49421 10.0172 7.52933 16.0628 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 8.6396 5.23233 6.55597 13.5673 9.71956 9.19736 numMergedOcc 0
15 mol 25 unq 2 iso 1 dist 8.6396 13.5673 9.71956 5.23233 6.55597 9.19736 numMergedOcc 0
16 mol 25 unq 3 iso 0 dist 8.6396 5.23233 6.55597 10.4709 7.07751 5.78812 numMergedOcc 0
17 mol 25 unq 3 iso 1 dist 8.6396 10.4709 7.07751 5.23233 6.55597 5.78812 numMergedOcc 0
18 mol 25 unq 4 iso 0 dist 8.6396 5.23233 6.55597 12.2787 8.23761 7.36721 numMergedOcc 0
19 mol 25 unq 4 iso 1 dist 8.6396 12.2787 8.23761 5.23233 6.55597 7.36721 numMergedOcc 0
20 mol 25 unq 5 iso 0 dist 8.6396 5.23233 6.55597 13.591 9.49421 12.1732 numMergedOcc 0
21 mol 25 unq 5 iso 1 dist 8.6396 13.591 9.49421 5.23233 6.55597 12.1732 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 8.6396 13.5673 9.71956 10.4709 7.07751 3.56099 numMergedOcc 0
23 mol 25 unq 3 iso 1 dist 8.6396 10.4709 7.07751 13.5673 9.71956 3.56099 numMergedOcc 0
24 mol 25 unq 4 iso 0 dist 8.6396 13.5673 9.71956 12.2787 8.23761 8.42944 numMergedOcc 0
25 mol 25 unq 4 iso 1 dist 8.6396 12.2787 8.23761 13.5673 9.71956 8.42944 numMergedOcc 0
26 mol 25 unq 5 iso 0 dist 8.6396 13.5673 9.71956 13.591 9.49421 8.99147 numMergedOcc 0
27 mol 25 unq 5 iso 1 dist 8.6396 13.591 9.49421 13.5673 9.71956 8.99147 numMergedOcc 0
28 mol 25 unq 4 iso 0 dist 8.6396 10.4709 7.07751 12.2787 8.23761 5.99526 numMergedOcc 0
29 mol 25 unq 4 iso 1 dist 8.6396 12.2787 8.23761 10.4709 7.07751 5.99526 numMergedOcc 0
30 mol 25 unq 5 iso 0 dist 8.6396 10.4709 7.07751 13.591 9.49421 9.54872 numMergedOcc 0
31 mol 25 unq 5 iso 1 dist 8.6396 13.591 9.49421 10.4709 7.07751 9.54872 numMergedOcc 0
32 mol 25 unq 5 iso 0 dist 8.6396 12.2787 8.23761 13.591 9.49421 14.6175 numMergedOcc 0
33 mol 25 unq 5 iso 1 dist 8.6396 13.591 9.49421 12.2787 8.23761 14.6175 numMergedOcc 0
34 mol 58 unq 0 iso 0 dist 4.88613 4.99692 8.96727 3.70586 8.01308 6.20884 numMergedOcc 0
35 mol 58 unq 0 iso 1 dist 4.88613 3.70586 8.01308 4.99692 8.96727 6.20884 numMergedOcc 0
36 mol 73 unq 0 iso 0 dist 6.18305 4.21749 8.68662 5.65986 7.4369 3.30399 numMergedOcc 0
37 mol 73 unq 0 iso 1 dist 6.18305 5.65986 7.4369 4.21749 8.68662 3.30399 numMergedOcc 0
38 mol 73 unq 1 iso 0 dist 8.06168 13.9003 8.72682 8.88868 6.45841 11.9298 numMergedOcc 0
39 mol 73 unq 1 iso 1 dist 8.06168 8.88868 6.45841 13.9003 8.72682 11.9298 numMergedOcc 0
40 mol 73 unq 2 iso 0 dist 8.06168 13.9003 8.72682 10.8798 5.61588 9.76138 numMergedOcc 0
41 mol 73 unq 2 iso 1 dist 8.06168 10.8798 5.61588 13.9003 8.72682 9.76138 numMergedOcc 0
42 mol 73 unq 3 iso 0 dist 8.06168 13.9003 8.72682 13.7267 7.83244 5.81659 numMergedOcc 0
43 mol 73 unq 3 iso 1 dist 8.06168 13.7267 7.83244 13.9003 8.72682 5.81659 numMergedOcc 0
44 mol 73 unq 2 iso 0 dist 8.06168 8.88868 6.45841 10.8798 5.61588 3.32668 numMergedOcc 0
45 mol 73 unq 2 iso 1 dist 8.06168 10.8798 5.61588 8.88868 6.45841 3.32668 numMergedOcc 0
46 mol 73 unq 3 iso 0 dist 8.06168 8.88868 6.45841 13.7267 7.83244 8.07648 numMergedOcc 0
47 mol 73 unq 3 iso 1 dist 8.06168 13.7267 7.83244 8.88868 6.45841 8.07648 numMergedOcc 0
48 mol 73 unq 3 iso 0 dist 8.06168 10.8798 5.61588 13.7267 7.83244 5.30471 numMergedOcc 0
49 mol 73 unq 3 iso 1 dist 8.06168 13.7267 7.83244 10.8798 5.61588 5.30471 numMergedOcc 0
50 mol 73 unq 4 iso 0 dist 8.67532 17.2466 8.72682 10.2047 6.45841 11.9298 numMergedOcc 0
51 mol 73 unq 4 iso 1 dist 8.67532 10.2047 6.45841 17.2466 8.72682 11.9298 numMergedOcc 0
52 mol 73 unq 5 iso 0 dist 8.67532 17.2466 8.72682 10.8441 5.61588 9.76138 numMergedOcc 0
53 mol 73 unq 5 iso 1 dist 8.67532 10.8441 5.61588 17.2466 8.72682 9.76138 numMergedOcc 0
54 mol 73 unq 6 iso 0 dist 8.67532 17.2466 8.72682 15.2203 7.83244 5.81659 numMergedOcc 0
55 mol 73 unq 6 iso 1 dist 8.67532 15.2203 7.83244 17.2466 8.72682 5.81659 numMergedOcc 0
56 mol 73 unq 5 iso 0 dist 8.67532 10.2047 6.45841 10.8441 5.61588 3.32668 numMergedOcc 0
57 mol 73 unq 5 iso 1 dist 8.67532 10.8441 5.61588 10.2047 6.45841 3.32668 numMergedOcc 0
58 mol 73 unq 6 iso 0 dist 8.67532 10.2047 6.45841 15.2203 7.83244 8.07648 numMergedOcc 0
59 mol 73 unq 6 iso 1 dist 8.67532 15.2203 7.83244 10.2047 6.45841 8.07648 numMergedOcc 0
60 mol 73 unq 6 iso 0 dist 8.67532 10.8441 5.61588 15.2203 7.83244 5.30471 numMergedOcc 0
61 mol 73 unq 6 iso 1 dist 8.67532 15.2203 7.83244 10.8441 5.61588 5.30471 numMergedOcc 0
62 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 3.89733 7.25801 7.95975 numMergedOcc 0
63 mol 78 unq 0 iso 1 dist 9.10981 3.89733 7.25801 9.89481 8.65848 7.95975 numMergedOcc 0
64 mol 78 unq 1 iso 0 dist 9.23023 13.8703 6.85523 11.9719 5.77326 8.2592 numMergedOcc 0
65 mol 78 unq 1 iso 1 dist 9.23023 11.9719 5.77326 13.8703 6.85523 8.2592 numMergedOcc 0
66 mol 95 unq 0 iso 0 dist 9.65047 8.55456 9.3948 3.84879 9.74607 8.00584 numMergedOcc 0
67 mol 95 unq 0 iso 1 dist 9.65047 3.84879 9.74607 8.55456 9.3948 8.00584 numMergedOcc 0
68 mol 112 unq 0 iso 0 dist 7.53905 3.61827 9.05166 3.78964 5.56994 5.11 numMergedOcc 0
69 mol 112 unq 0 iso 1 dist 7.53905 3.78964 5.56994 3.61827 9.05166 5.11 numMergedOcc 0
70 mol 115 unq 0 iso 0 dist 5.02717 5.33827 7.69765 12.6105 9.42082 11.044 numMergedOcc 0
71 mol 115 unq 0 iso 1 dist 5.02717 12.6105 9.42082 5.33827 7.69765 11.044 numMergedOcc 0
72 mol 129 unq 0 iso 0 dist 9.28278 9.63308 6.69691 9.05571 5.51197 5.94312 numMergedOcc 0
73 mol 129 unq 0 iso 1 dist 9.28278 9.05571 5.51197 9.63308 6.69691 5.94312 numMergedOcc 0
74 mol 129 unq 1 iso 0 dist 9.28278 9.63308 6.69691 14.5546 8.86944 5.35495 numMergedOcc 0
75 mol 129 unq 1 iso 1 dist 9.28278 14.5546 8.86944 9.63308 6.69691 5.35495 numMergedOcc 0
76 mol 129 unq 1 iso 0 dist 9.28278 9.05571 5.51197 14.5546 8.86944 9.74141 numMergedOcc 0
77 mol 129 unq 1 iso 1 dist 9.28278 14.5546 8.86944 9.05571 5.51197 9.74141 numMergedOcc 0
78 mol 134 unq 0 iso 0 dist 9.60411 11.6349 9.33924 3.76211 7.93372 11.4107 numMergedOcc 0
79 mol 134 unq 0 iso 1 dist 9.60411 3.76211 7.93372 11.6349 9.33924 11.4107 numMergedOcc 0
80 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 4.68518 5.40637 10.1474 numMergedOcc 0
81 mol 143 unq 0 iso 1 dist 8.30654 4.68518 5.40637 9.60065 7.36975 10.1474 numMergedOcc 0
82 mol 181 unq 0 iso 0 dist 9.84952 7.19461 6.64173 9.77747 9.01624 11.196 numMergedOcc 0
83 mol 181 unq 0 iso 1 dist 9.84952 9.77747 9.01624 7.19461 6.64173 11.196 numMergedOcc 0
84 mol 181 unq 1 iso 0 dist 9.84952 7.19461 6.64173 10.0615 9.55105 10.1041 numMergedOcc 0
85 mol 181 unq 1 iso 1 dist 9.84952 10.0615 9.55105 7.19461 6.64173 10.1041 numMergedOcc 0
86 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 10.0615 9.55105 3.55187 numMergedOcc 0
87 mol 181 unq 1 iso 1 dist 9.84952 10.0615 9.55105 9.77747 9.01624 3.55187 numMergedOcc 0
88 mol 186 unq 0 iso 0 dist 8.03995 11.8169 7.2793 14.1849 9.51091 3.47886 numMergedOcc 0
89 mol 186 unq 0 iso 1 dist 8.03995 14.1849 9.51091 11.8169 7.2793 3.47886 numMergedOcc 0
90 mol 186 unq 1 iso 0 dist 8.03995 11.8169 7.2793 3.85767 7.85184 12.5618 numMergedOcc 0
91 mol 186 unq 1 iso 1 dist 8.03995 3.85767 7.85184 11.8169 7.2793 12.5618 numMergedOcc 0
92 mol 186 unq 1 iso 0 dist 8.03995 14.1849 9.51091 3.85767 7.85184 14.2448 numMergedOcc 0
93 mol 186 unq 1 iso 1 dist 8.03995 3.85767 7.85184 14.1849 9.51091 14.2448 numMergedOcc 0
94 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 5.5875 9.73548 16.8666 numMergedOcc 0
95 mol 197 unq 0 iso 1 dist 8.3337 5.5875 9.73548 17.2264 9.10817 16.8666 numMergedOcc 0
96 mol 207 unq 0 iso 0 dist 9.18896 9.63192 5.12567 5.10056 6.0563 6.07936 numMergedOcc 0
97 mol 207 unq 0 iso 1 dist 9.18896 5.10056 6.0563 9.63192 5.12567 6.07936 numMergedOcc 0
98 mol 207 unq 1 iso 0 dist 9.18896 9.63192 5.12567 3.94578 8.1244 10.1734 numMergedOcc 0
99 mol 207 unq 1 iso 1 dist 9.18896 3.94578 8.1244 9.63192 5.12567 10.1734 numMergedOcc 0
100 mol 207 unq 1 iso 0 dist 9.18896 5.10056 6.0563 3.94578 8.1244 4.66347 numMergedOcc 0
101 mol 207 unq 1 iso 1 dist 9.18896 3.94578 8.1244 5.10056 6.0563 4.66347 numMergedOcc 0
102 mol 222 unq 0 iso 0 dist 7.85877 4.91709 5.56538 5.96186 7.48954 3.58181 numMergedOcc 0
103 mol 222 unq 0 iso 1 dist 7.85877 5.96186 7.48954 4.91709 5.56538 3.58181 numMergedOcc 0
104 mol 259 unq 0 iso 0 dist 9.54857 5.49348 5.85442 5.13138 6.95511 3.51848 numMergedOcc 0
105 mol 259 unq 0 iso 1 dist 9.54857 5.13138 6.95511 5.49348 5.85442 3.51848 numMergedOcc 0
106 mol 259 unq 1 iso 0 dist 6.42725 11.761 8.03219 6.09466 6.9899 8.0048 numMergedOcc 0
107 mol 259 unq 1 iso 1 dist 6.42725 6.09466 6.9899 11.761 8.03219 8.0048 numMergedOcc 0
108 mol 274 unq 0 iso 0 dist 9.65265 18.3627 9.30212 11.4981 6.4611 13.5848 numMergedOcc 0
109 mol 274 unq 0 iso 1 dist 9.65265 11.4981 6.4611 18.3627 9.30212 13.5848 numMergedOcc 0
110 mol 277 unq 0 iso 0 dist 8.96343 6.17642 5.46926 8.24206 5.13913 3.39114 numMergedOcc 0
111 mol 277 unq 0 iso 1 dist 8.96343 8.24206 5.13913 6.17642 5.46926 3.39114 numMergedOcc 0
112 mol 277 unq 1 iso 0 dist 9.29635 12.7269 9.35539 12.2421 8.9682 16.9644 numMergedOcc 0
113 mol 277 unq 1 iso 1 dist 9.29635 12.2421 8.9682 12.7269 9.35539 16.9644 numMergedOcc 0
114 mol 277 unq 2 iso 0 dist 9.29635 12.7269 9.35539 10.9521 6.92711 15.8851 numMergedOcc 0
115 mol 277 unq 2 iso 1 dist 9.29635 10.9521 6.92711 12.7269 9.35539 15.8851 numMergedOcc 0
116 mol 277 unq 2 iso 0 dist 9.29635 12.2421 8.9682 10.9521 6.92711 3.39114 numMergedOcc 0
117 mol 277 unq 2 iso 1 dist 9.29635 10.9521 6.92711 12.2421 8.9682 3.39114 numMergedOcc 0
118 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 14.5738 8.9221 9.43063 numMergedOcc 0
119 mol 292 unq 0 iso 1 dist 9.6898 14.5738 8.9221 18.4042 9.9182 9.43063 numMergedOcc 0
120 mol 292 unq 1 iso 0 dist 5.75596 6.65781 9.9182 4.00064 8.9221 9.43063 numMergedOcc 0
121 mol 292 unq 1 iso 1 dist 5.75596 4.00064 8.9221 6.65781 9.9182 9.43063 numMergedOcc 0
122 mol 292 unq 2 iso 0 dist 8.37867 6.65781 9.10788 4.00064 8.85064 9.43063 numMergedOcc 0
123 mol 292 unq 2 iso 1 dist 8.37867 4.00064 8.85064 6.65781 9.10788 9.43063 numMergedOcc 0
124 mol 292 unq 3 iso 0 dist 9.20416 8.88312 7.20674 12.3704 8.38121 9.14614 numMergedOcc 0
125 mol 292 unq 3 iso 1 dist 9.20416 12.3704 8.38121 8.88312 7.20674 9.14614 numMergedOcc 0
126 mol 292 unq 4 iso 0 dist 7.53641 10.0594 7.20674 15.5666 8.38121 9.14614 numMergedOcc 0
127 mol 292 unq 4 iso 1 dist 7.53641 15.5666 8.38121 10.0594 7.20674 9.14614 numMergedOcc 0
