0 mol 5 unq 0 iso 0 dist 4.9568 4.42081 7.56229 10.7757 11.7909 9.83318 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.76224 7.77448 9.2146 12.1698 13.6047 7.2551 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.4702 3.77705 5.88409 8.34804 8.43533 6.44825 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.57551 6.56256 8.19932 6.77421 8.41751 9.90923 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.06029 6.35003 4.78333 9.25766 6.59223 7.7288 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.74924 3.60451 4.3439 11.4492 6.84485 8.23073 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 6.48066 9.43003 7.0961 13.0453 9.69599 7.96541 numMergedOcc 0
7 mol 168 unq 1 iso 0 dist 8.47543 6.97182 8.26768 10.9163 7.91845 7.96541 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.69952 6.21273 8.17928 10.2454 5.86994 6.49577 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 7.69952 6.21273 8.17928 15.5449 16.9837 9.76574 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.12524 9.69119 8.23717 14.1329 10.6524 5.81438 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.25174 7.54616 7.4185 10.957 10.9814 6.50586 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 9.16671 3.69062 7.4185 7.55333 10.9814 6.50586 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 8.87165 10.0544 4.97301 7.84215 3.50159 6.75579 numMergedOcc 0
14 mol 205 unq 3 iso 0 dist 8.93485 6.10058 7.68686 13.3777 15.4168 9.867 numMergedOcc 0
15 mol 205 unq 4 iso 0 dist 5.66636 3.50446 7.68686 12.8036 15.4168 9.867 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 7.89302 5.06168 5.6417 12.2967 4.96278 8.98141 numMergedOcc 0
17 mol 255 unq 0 iso 0 dist 7.80616 5.98092 8.7958 13.3158 13.7865 7.58813 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.35293 10.858 8.20376 16.3071 8.39575 7.97711 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.93375 7.54309 8.20376 13.6239 8.39575 7.97711 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 6.73396 6.01574 7.73438 5.76796 4.57431 6.24134 numMergedOcc 0
