0 mol 7 unq 0 iso 0 dist 9.28571 9.62459 8.50044 15.3822 7.11539 14.3765 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.28571 15.3822 7.11539 9.62459 8.50044 14.3765 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.05125 9.89662 8.50044 10.7937 7.11539 14.3765 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 8.05125 10.7937 7.11539 9.89662 8.50044 14.3765 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.8089 5.63508 5.72627 9.73669 7.68741 6.70789 numMergedOcc 0
5 mol 79 unq 0 iso 1 dist 9.8089 9.73669 7.68741 5.63508 5.72627 6.70789 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 9.8089 5.63508 5.72627 6.00867 9.86085 7.15067 numMergedOcc 0
7 mol 79 unq 1 iso 1 dist 9.8089 6.00867 9.86085 5.63508 5.72627 7.15067 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 9.8089 5.63508 5.72627 12.6221 9.76351 7.7277 numMergedOcc 0
9 mol 79 unq 2 iso 1 dist 9.8089 12.6221 9.76351 5.63508 5.72627 7.7277 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.8089 9.73669 7.68741 6.00867 9.86085 5.79604 numMergedOcc 0
11 mol 79 unq 1 iso 1 dist 9.8089 6.00867 9.86085 9.73669 7.68741 5.79604 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 9.8089 9.73669 7.68741 12.6221 9.76351 7.2005 numMergedOcc 0
13 mol 79 unq 2 iso 1 dist 9.8089 12.6221 9.76351 9.73669 7.68741 7.2005 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 9.8089 6.00867 9.86085 12.6221 9.76351 11.4869 numMergedOcc 0
15 mol 79 unq 2 iso 1 dist 9.8089 12.6221 9.76351 6.00867 9.86085 11.4869 numMergedOcc 0
16 mol 125 unq 0 iso 0 dist 7.43803 6.27138 9.94322 5.61158 9.7728 4.38093 numMergedOcc 0
17 mol 125 unq 0 iso 1 dist 7.43803 5.61158 9.7728 6.27138 9.94322 4.38093 numMergedOcc 0
18 mol 125 unq 1 iso 0 dist 8.75402 11.1934 8.35871 7.74181 6.75122 4.38093 numMergedOcc 0
19 mol 125 unq 1 iso 1 dist 8.75402 7.74181 6.75122 11.1934 8.35871 4.38093 numMergedOcc 0
20 mol 125 unq 2 iso 0 dist 8.48363 6.46489 8.35871 8.27647 6.75122 4.38093 numMergedOcc 0
21 mol 125 unq 2 iso 1 dist 8.48363 8.27647 6.75122 6.46489 8.35871 4.38093 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 5.50879 5.309 8.75305 6.07262 5.13522 6.12113 numMergedOcc 0
23 mol 156 unq 0 iso 1 dist 5.50879 6.07262 5.13522 5.309 8.75305 6.12113 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 6.69157 11.9245 8.75305 6.25291 5.13522 6.12113 numMergedOcc 0
25 mol 156 unq 1 iso 1 dist 6.69157 6.25291 5.13522 11.9245 8.75305 6.12113 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 9.68937 10.8108 9.00731 12.5317 5.99212 5.76082 numMergedOcc 0
27 mol 162 unq 0 iso 1 dist 9.68937 12.5317 5.99212 10.8108 9.00731 5.76082 numMergedOcc 0
28 mol 162 unq 1 iso 0 dist 6.3981 7.67095 9.00731 8.33986 5.99212 5.76082 numMergedOcc 0
29 mol 162 unq 1 iso 1 dist 6.3981 8.33986 5.99212 7.67095 9.00731 5.76082 numMergedOcc 0
30 mol 174 unq 0 iso 0 dist 9.56869 10.981 8.39178 13.6211 7.54918 4.17687 numMergedOcc 0
31 mol 174 unq 0 iso 1 dist 9.56869 13.6211 7.54918 10.981 8.39178 4.17687 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 5.83093 4.71967 8.29166 10.8213 8.14859 13.9837 numMergedOcc 0
33 mol 192 unq 0 iso 1 dist 5.83093 10.8213 8.14859 4.71967 8.29166 13.9837 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 5.83093 4.71967 8.29166 6.75301 5.62421 9.92978 numMergedOcc 0
35 mol 192 unq 1 iso 1 dist 5.83093 6.75301 5.62421 4.71967 8.29166 9.92978 numMergedOcc 0
36 mol 192 unq 1 iso 0 dist 5.83093 10.8213 8.14859 6.75301 5.62421 4.20321 numMergedOcc 0
37 mol 192 unq 1 iso 1 dist 5.83093 6.75301 5.62421 10.8213 8.14859 4.20321 numMergedOcc 0
38 mol 212 unq 0 iso 0 dist 7.98724 12.3018 6.80332 12.9081 7.64336 5.24023 numMergedOcc 0
39 mol 212 unq 0 iso 1 dist 7.98724 12.9081 7.64336 12.3018 6.80332 5.24023 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 5.77828 5.11183 9.49129 6.32646 6.80544 6.25098 numMergedOcc 0
41 mol 238 unq 0 iso 1 dist 5.77828 6.32646 6.80544 5.11183 9.49129 6.25098 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 7.80073 5.41296 8.87182 11.9194 5.95622 11.3911 numMergedOcc 0
43 mol 239 unq 0 iso 1 dist 7.80073 11.9194 5.95622 5.41296 8.87182 11.3911 numMergedOcc 0
44 mol 239 unq 1 iso 0 dist 9.82057 4.239 8.99609 5.29359 8.09656 7.79338 numMergedOcc 0
45 mol 239 unq 1 iso 1 dist 9.82057 5.29359 8.09656 4.239 8.99609 7.79338 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 7.84151 5.63899 9.16554 7.46111 8.83491 9.36595 numMergedOcc 0
47 mol 273 unq 0 iso 1 dist 7.84151 7.46111 8.83491 5.63899 9.16554 9.36595 numMergedOcc 0
48 mol 273 unq 1 iso 0 dist 7.346 11.3048 9.16554 5.60451 8.83491 9.36595 numMergedOcc 0
49 mol 273 unq 1 iso 1 dist 7.346 5.60451 8.83491 11.3048 9.16554 9.36595 numMergedOcc 0
