0 mol 34 unq 0 iso 0 dist 6.93364 9.25424 4.06864 11.952 8.63361 10.207 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 6.93364 7.69101 5.9339 11.952 8.63361 13.8182 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 6.34821 9.57665 5.9339 11.0362 8.63361 13.8182 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 7.54496 6.18681 4.67883 10.2107 7.51138 9.49744 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 7.54496 6.18681 4.67883 10.6903 9.86843 13.1387 numMergedOcc 0
5 mol 90 unq 2 iso 0 dist 7.54496 6.18681 4.67883 10.968 6.86146 11.2433 numMergedOcc 0
6 mol 90 unq 3 iso 0 dist 7.54496 6.18681 4.67883 5.69605 8.83296 10.0174 numMergedOcc 0
7 mol 90 unq 4 iso 0 dist 7.54496 9.33288 8.27728 10.2107 7.51138 14.4654 numMergedOcc 0
8 mol 90 unq 5 iso 0 dist 7.54496 9.33288 8.27728 10.6903 9.86843 17.3085 numMergedOcc 0
9 mol 90 unq 6 iso 0 dist 7.54496 9.33288 8.27728 10.968 6.86146 14.7145 numMergedOcc 0
10 mol 90 unq 7 iso 0 dist 7.54496 9.33288 8.27728 5.69605 8.83296 12.2964 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 6.40901 8.08798 7.87644 7.12863 5.73236 5.66207 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 6.28417 5.97134 4.83835 13.5582 9.71408 14.3118 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 9.39865 8.90564 6.69196 4.24398 5.90883 5.22104 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 6.21206 9.46392 9.36939 4.05428 9.05835 11.8298 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 8.76185 6.17074 5.43768 11.5632 5.44396 10.3541 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 8.76185 6.17074 5.43768 5.08201 6.22972 7.06636 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 6.61099 8.5244 11.2216 13.6339 8.93185 18.1529 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 5.13453 9.27079 8.65604 8.99405 6.53728 10.7681 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.92409 8.54425 6.43307 5.8333 9.89583 10.8578 numMergedOcc 0
20 mol 286 unq 0 iso 0 dist 8.72146 9.81574 9.21314 10.4684 5.91064 13.7414 numMergedOcc 0
