0 mol 41 unq 0 iso 0 dist 6.21128 6.67385 7.31718 10.8632 5.47447 8.32323 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 6.21128 10.8632 5.47447 6.67385 7.31718 8.32323 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 9.57024 9.22096 7.31718 13.6273 5.47447 8.32323 numMergedOcc 0
3 mol 41 unq 1 iso 1 dist 9.57024 13.6273 5.47447 9.22096 7.31718 8.32323 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.98985 3.99506 5.64092 16.2325 8.71074 12.8321 numMergedOcc 0
5 mol 68 unq 0 iso 1 dist 7.98985 16.2325 8.71074 3.99506 5.64092 12.8321 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.77077 3.94039 5.45099 5.61505 8.44765 6.98219 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 8.77077 5.61505 8.44765 3.94039 5.45099 6.98219 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.77077 3.94039 5.45099 8.43884 9.06643 8.74837 numMergedOcc 0
9 mol 76 unq 1 iso 1 dist 8.77077 8.43884 9.06643 3.94039 5.45099 8.74837 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.77077 5.61505 8.44765 8.43884 9.06643 4.82479 numMergedOcc 0
11 mol 76 unq 1 iso 1 dist 8.77077 8.43884 9.06643 5.61505 8.44765 4.82479 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 6.5551 5.84075 4.78333 5.41884 4.74254 5.63083 numMergedOcc 0
13 mol 79 unq 0 iso 1 dist 6.5551 5.41884 4.74254 5.84075 4.78333 5.63083 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 5.05893 5.22259 4.29937 7.66499 5.37869 2.58673 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 5.05893 7.66499 5.37869 5.22259 4.29937 2.58673 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 5.71866 5.22259 3.65628 7.66499 4.05415 2.58673 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 5.71866 7.66499 4.05415 5.22259 3.65628 2.58673 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 9.19977 5.64998 6.67678 4.76749 7.24956 2.81832 numMergedOcc 0
19 mol 93 unq 0 iso 1 dist 9.19977 4.76749 7.24956 5.64998 6.67678 2.81832 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 9.19977 5.64998 6.67678 15.6931 8.28591 10.7776 numMergedOcc 0
21 mol 93 unq 1 iso 1 dist 9.19977 15.6931 8.28591 5.64998 6.67678 10.7776 numMergedOcc 0
22 mol 93 unq 2 iso 0 dist 9.19977 5.64998 6.67678 14.8662 9.40687 10.4844 numMergedOcc 0
23 mol 93 unq 2 iso 1 dist 9.19977 14.8662 9.40687 5.64998 6.67678 10.4844 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 9.19977 4.76749 7.24956 15.6931 8.28591 11.7564 numMergedOcc 0
25 mol 93 unq 1 iso 1 dist 9.19977 15.6931 8.28591 4.76749 7.24956 11.7564 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 9.19977 4.76749 7.24956 14.8662 9.40687 10.3262 numMergedOcc 0
27 mol 93 unq 2 iso 1 dist 9.19977 14.8662 9.40687 4.76749 7.24956 10.3262 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 9.19977 15.6931 8.28591 14.8662 9.40687 5.02964 numMergedOcc 0
29 mol 93 unq 2 iso 1 dist 9.19977 14.8662 9.40687 15.6931 8.28591 5.02964 numMergedOcc 0
30 mol 93 unq 3 iso 0 dist 7.28831 4.34681 6.67678 5.73248 7.24956 2.81832 numMergedOcc 0
31 mol 93 unq 3 iso 1 dist 7.28831 5.73248 7.24956 4.34681 6.67678 2.81832 numMergedOcc 0
32 mol 93 unq 4 iso 0 dist 7.28831 4.34681 6.67678 13.5809 8.28591 10.7776 numMergedOcc 0
33 mol 93 unq 4 iso 1 dist 7.28831 13.5809 8.28591 4.34681 6.67678 10.7776 numMergedOcc 0
34 mol 93 unq 5 iso 0 dist 7.28831 4.34681 6.67678 14.149 9.40687 10.4844 numMergedOcc 0
35 mol 93 unq 5 iso 1 dist 7.28831 14.149 9.40687 4.34681 6.67678 10.4844 numMergedOcc 0
36 mol 93 unq 4 iso 0 dist 7.28831 5.73248 7.24956 13.5809 8.28591 11.7564 numMergedOcc 0
37 mol 93 unq 4 iso 1 dist 7.28831 13.5809 8.28591 5.73248 7.24956 11.7564 numMergedOcc 0
38 mol 93 unq 5 iso 0 dist 7.28831 5.73248 7.24956 14.149 9.40687 10.3262 numMergedOcc 0
39 mol 93 unq 5 iso 1 dist 7.28831 14.149 9.40687 5.73248 7.24956 10.3262 numMergedOcc 0
40 mol 93 unq 5 iso 0 dist 7.28831 13.5809 8.28591 14.149 9.40687 5.02964 numMergedOcc 0
41 mol 93 unq 5 iso 1 dist 7.28831 14.149 9.40687 13.5809 8.28591 5.02964 numMergedOcc 0
42 mol 93 unq 6 iso 0 dist 9.71411 9.11796 6.67678 7.24672 7.24956 2.81832 numMergedOcc 0
43 mol 93 unq 6 iso 1 dist 9.71411 7.24672 7.24956 9.11796 6.67678 2.81832 numMergedOcc 0
44 mol 93 unq 7 iso 0 dist 9.71411 9.11796 6.67678 10.6039 8.28591 10.7776 numMergedOcc 0
45 mol 93 unq 7 iso 1 dist 9.71411 10.6039 8.28591 9.11796 6.67678 10.7776 numMergedOcc 0
46 mol 93 unq 8 iso 0 dist 9.71411 9.11796 6.67678 6.48338 9.40687 10.4844 numMergedOcc 0
47 mol 93 unq 8 iso 1 dist 9.71411 6.48338 9.40687 9.11796 6.67678 10.4844 numMergedOcc 0
48 mol 93 unq 7 iso 0 dist 9.71411 7.24672 7.24956 10.6039 8.28591 11.7564 numMergedOcc 0
49 mol 93 unq 7 iso 1 dist 9.71411 10.6039 8.28591 7.24672 7.24956 11.7564 numMergedOcc 0
50 mol 93 unq 8 iso 0 dist 9.71411 7.24672 7.24956 6.48338 9.40687 10.3262 numMergedOcc 0
51 mol 93 unq 8 iso 1 dist 9.71411 6.48338 9.40687 7.24672 7.24956 10.3262 numMergedOcc 0
52 mol 93 unq 8 iso 0 dist 9.71411 10.6039 8.28591 6.48338 9.40687 5.02964 numMergedOcc 0
53 mol 93 unq 8 iso 1 dist 9.71411 6.48338 9.40687 10.6039 8.28591 5.02964 numMergedOcc 0
54 mol 141 unq 0 iso 0 dist 7.58337 10.3222 5.95801 17.5034 9.92715 10.7858 numMergedOcc 0
55 mol 141 unq 0 iso 1 dist 7.58337 17.5034 9.92715 10.3222 5.95801 10.7858 numMergedOcc 0
56 mol 168 unq 0 iso 0 dist 9.85438 7.27069 7.0961 4.51252 8.26768 5.29906 numMergedOcc 0
57 mol 168 unq 0 iso 1 dist 9.85438 4.51252 8.26768 7.27069 7.0961 5.29906 numMergedOcc 0
58 mol 194 unq 0 iso 0 dist 4.19371 3.7326 4.45769 7.29209 5.89939 3.78714 numMergedOcc 0
59 mol 194 unq 0 iso 1 dist 4.19371 7.29209 5.89939 3.7326 4.45769 3.78714 numMergedOcc 0
60 mol 194 unq 1 iso 0 dist 9.71015 3.7326 8.99961 7.29209 8.18853 3.78714 numMergedOcc 0
61 mol 194 unq 1 iso 1 dist 9.71015 7.29209 8.18853 3.7326 8.99961 3.78714 numMergedOcc 0
62 mol 205 unq 0 iso 0 dist 8.31721 10.4367 7.88986 5.27881 7.4185 13.0936 numMergedOcc 0
63 mol 205 unq 0 iso 1 dist 8.31721 5.27881 7.4185 10.4367 7.88986 13.0936 numMergedOcc 0
64 mol 214 unq 0 iso 0 dist 5.44533 6.28944 7.70062 7.23583 7.66702 2.86233 numMergedOcc 0
65 mol 214 unq 0 iso 1 dist 5.44533 7.23583 7.66702 6.28944 7.70062 2.86233 numMergedOcc 0
66 mol 218 unq 0 iso 0 dist 8.57119 3.9534 6.17843 9.18287 8.52772 5.51725 numMergedOcc 0
67 mol 218 unq 0 iso 1 dist 8.57119 9.18287 8.52772 3.9534 6.17843 5.51725 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 7.30592 12.5391 7.98132 13.1055 7.99036 5.10881 numMergedOcc 0
69 mol 224 unq 0 iso 1 dist 7.30592 13.1055 7.99036 12.5391 7.98132 5.10881 numMergedOcc 0
70 mol 224 unq 1 iso 0 dist 9.46687 9.61316 7.98132 8.81276 7.99036 5.10881 numMergedOcc 0
71 mol 224 unq 1 iso 1 dist 9.46687 8.81276 7.99036 9.61316 7.98132 5.10881 numMergedOcc 0
72 mol 252 unq 0 iso 0 dist 8.09509 11.8619 7.62991 3.99887 9.81261 14.7288 numMergedOcc 0
73 mol 252 unq 0 iso 1 dist 8.09509 3.99887 9.81261 11.8619 7.62991 14.7288 numMergedOcc 0
