0 mol 13 unq 0 iso 0 dist 8.05984 6.67016 9.11447 9.57675 15.0129 7.98679 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.69203 13.0088 6.93364 13.9848 6.45654 6.15801 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.69203 13.0088 6.93364 17.2283 11.9626 9.63403 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 8.69203 13.0088 6.93364 20.9988 14.1223 8.07314 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 6.94727 9.16258 7.95778 12.3122 6.39184 8.80014 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 6.84652 8.45877 8.65019 10.8427 4.70551 9.80143 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.46764 11.107 8.65019 9.89706 4.70551 9.80143 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 9.03277 9.65804 6.82089 5.96506 6.08911 9.13191 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 9.03277 9.65804 6.82089 14.4087 11.562 6.95405 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 5.96285 9.78167 7.01133 11.1438 7.66774 7.25644 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 8.583 9.16009 6.28417 11.714 4.70993 6.51014 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 6.84347 10.9098 7.01126 10.9997 4.30489 5.89564 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 6.84347 10.9098 7.01126 6.53696 4.57622 5.60528 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 6.84347 5.31207 6.58434 6.53696 4.57622 5.5995 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 7.20955 7.98055 8.76185 13.4513 10.8409 7.8141 numMergedOcc 0
15 mol 193 unq 1 iso 0 dist 7.20955 7.98055 8.76185 8.95886 5.97706 8.43187 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 8.79054 4.7189 9.06084 5.68253 6.56416 6.00582 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 6.73204 8.7465 7.25677 5.92532 6.56697 7.85414 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 6.73204 11.1293 6.73126 15.5761 9.00644 8.81717 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 7.76881 11.8647 9.48589 14.3692 7.83538 7.21972 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 8.54064 10.36 5.80415 12.8299 7.87216 8.16947 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 8.54064 10.36 5.80415 9.56169 4.39689 6.74142 numMergedOcc 0
22 mol 285 unq 2 iso 0 dist 7.21844 6.6406 5.80415 8.35007 7.87216 8.16947 numMergedOcc 0
23 mol 285 unq 3 iso 0 dist 7.21844 6.6406 5.80415 8.02964 4.39689 6.74142 numMergedOcc 0
