0 mol 0 unq 0 iso 0 dist 8.82108 8.82652 5.22416 10.1875 14.0721 9.72725 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.90148 8.82652 9.94405 10.1875 16.0611 9.72725 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41173 9.96415 13.1033 14.6751 15.1419 9.67164 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41173 9.96415 13.1033 7.15287 13.8674 5.99459 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.55357 4.74069 6.66655 7.46414 12.6659 7.26639 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 5.86972 4.74069 4.57886 7.46414 9.23576 7.26639 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.02854 6.14248 8.66335 5.82267 12.3244 8.23026 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.07421 9.31543 5.04019 4.80675 6.29026 6.69691 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 7.07421 8.85652 4.79473 4.80675 6.29026 5.51197 numMergedOcc 0
9 mol 129 unq 2 iso 0 dist 8.34427 8.57774 13.2297 5.99695 11.5151 5.58833 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.9663 9.67398 9.69908 7.09664 12.0527 6.93139 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 8.15549 8.62632 12.032 11.6877 11.5642 6.89918 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 8.15549 8.62632 12.032 11.8999 13.9285 7.89457 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 5.36826 5.50187 6.11221 12.8565 14.767 9.04757 numMergedOcc 0
14 mol 146 unq 1 iso 0 dist 8.50225 5.50187 8.01939 12.8565 16.8657 9.04757 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 5.59682 9.17216 9.0696 6.62991 8.89982 6.59889 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 5.59682 9.17216 9.0696 13.4463 14.5119 6.70693 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 5.59682 9.44172 9.83062 6.62991 8.89982 8.9192 numMergedOcc 0
18 mol 152 unq 3 iso 0 dist 7.71277 9.40483 9.0696 7.17016 8.89982 6.59889 numMergedOcc 0
19 mol 152 unq 4 iso 0 dist 7.71277 9.40483 9.0696 11.3742 14.5119 6.70693 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 6.47689 8.39573 5.71744 12.5935 11.5992 9.01624 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 6.47689 8.39573 5.71744 4.681 6.43406 5.05973 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 8.94671 8.8774 4.82437 4.85077 7.86625 9.56028 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.39345 6.49577 6.79905 8.24478 11.46 8.73533 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 9.45817 9.76574 16.3928 10.0248 17.9229 8.73533 numMergedOcc 0
25 mol 223 unq 0 iso 0 dist 7.57564 7.27963 6.50937 10.6103 12.0329 6.42257 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.47122 8.57781 3.56689 15.4433 9.75313 8.08349 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 7.47122 8.57781 3.56689 10.8616 11.1179 9.78218 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 6.6537 5.36326 3.56689 4.55824 9.75313 8.08349 numMergedOcc 0
29 mol 224 unq 3 iso 0 dist 6.6537 5.36326 3.56689 6.91193 11.1179 9.78218 numMergedOcc 0
30 mol 224 unq 4 iso 0 dist 9.08719 5.36326 11.4272 4.55824 6.08709 8.08349 numMergedOcc 0
31 mol 224 unq 5 iso 0 dist 9.08719 5.36326 11.4272 6.91193 15.5817 9.78218 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 9.13126 9.67162 4.8226 5.52669 9.10613 8.23087 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 5.57184 9.67281 12.4194 7.01206 5.24313 9.12776 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 5.57184 9.67281 12.4194 11.2453 16.0821 9.72188 numMergedOcc 0
35 mol 251 unq 0 iso 0 dist 6.90276 5.62261 4.4711 6.33949 11.1504 7.39775 numMergedOcc 0
36 mol 251 unq 1 iso 0 dist 6.90276 6.17824 6.24693 5.99541 12.7726 9.82601 numMergedOcc 0
37 mol 251 unq 2 iso 0 dist 6.90276 6.17824 6.24693 6.33949 11.1504 6.50357 numMergedOcc 0
38 mol 251 unq 3 iso 0 dist 8.65339 8.07576 10.1422 9.52592 15.5004 9.82601 numMergedOcc 0
39 mol 251 unq 4 iso 0 dist 8.65339 8.07576 10.1422 7.54315 10.9087 6.50357 numMergedOcc 0
40 mol 255 unq 0 iso 0 dist 9.72048 7.58813 9.02405 9.02294 11.6393 6.87333 numMergedOcc 0
41 mol 255 unq 1 iso 0 dist 9.72048 7.58813 9.02405 4.15604 11.8532 9.86207 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 8.91916 8.40328 10.2743 6.18571 12.2198 5.85442 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 8.91916 8.40328 10.2743 12.3834 10.0766 6.9899 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 8.91916 8.2518 11.46 11.0067 18.4456 9.46361 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 8.91916 8.2518 11.46 6.18571 12.2198 6.95511 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 4.55368 8.40328 7.06301 6.18571 7.93997 5.85442 numMergedOcc 0
47 mol 259 unq 5 iso 0 dist 4.55368 8.40328 7.06301 12.3834 9.52383 6.9899 numMergedOcc 0
48 mol 259 unq 6 iso 0 dist 4.55368 8.2518 7.80863 11.0067 13.8509 9.46361 numMergedOcc 0
49 mol 259 unq 7 iso 0 dist 4.55368 8.2518 7.80863 6.18571 7.93997 6.95511 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 8.12294 7.32002 6.61186 10.9431 15.5003 9.74118 numMergedOcc 0
