0 mol 7 unq 0 iso 0 dist 7.21619 8.75206 8.80762 11.0133 12.3097 8.41585 13.2517 11.7002 5.99459 6.88805 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 10.6042 6.00575 6.86014 10.1898 4.47891 7.95042 5.69214 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 9.90845 5.97304 8.86116 10.1898 4.47891 7.95042 5.11636 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.33162 9.97169 8.44903 12.2944 5.48048 5.73819 9.04174 4.69849 6.66407 5.07458 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.41473 6.6796 9.93832 13.3486 9.06158 8.80331 9.23033 4.55347 6.6263 5.41726 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 9.41473 10.2523 8.60739 12.49 5.64171 5.73819 9.23033 4.55347 6.75943 4.96926 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 9.41473 10.2523 8.60739 13.3486 9.06158 6.20293 9.23033 4.55347 6.75943 5.41726 numMergedOcc 0
7 mol 43 unq 4 iso 0 dist 9.41473 10.2523 8.60739 17.9394 11.3891 8.93915 9.23033 4.55347 6.75943 10.0383 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.59232 6.71593 8.85586 14.6361 14.8866 8.70481 7.91605 5.50891 5.5087 11.2069 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.59232 6.71593 8.85586 14.6361 14.8866 8.70481 6.43707 4.75954 6.08682 10.6713 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.439 5.89022 8.40312 9.5782 5.30999 9.27976 3.98662 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.07229 10.6381 8.41611 13.7165 12.7056 5.99315 12.9811 9.05786 7.36975 13.1926 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 9.07229 10.6381 8.41611 13.7165 12.7056 5.99315 11.5131 6.16103 5.40637 7.39837 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 8.98581 4.98373 7.63338 9.73212 12.8872 5.99315 6.45477 3.75378 7.36975 13.1926 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 8.98581 4.98373 7.63338 9.73212 12.8872 5.99315 9.95629 8.4697 5.40637 7.39837 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 16.7935 8.90184 7.54065 9.82338 8.58039 6.61112 11.0961 numMergedOcc 0
16 mol 223 unq 0 iso 0 dist 6.82737 4.67731 6.13306 12.0111 6.52273 8.77153 8.85178 4.40141 6.42257 4.04036 numMergedOcc 0
17 mol 223 unq 1 iso 0 dist 6.82737 4.67731 6.13306 12.0111 6.52273 8.77153 9.73123 9.63911 9.33543 13.1538 numMergedOcc 0
18 mol 223 unq 2 iso 0 dist 6.82737 4.67731 6.13306 10.6785 7.12885 8.6166 8.85178 4.40141 6.42257 9.47076 numMergedOcc 0
19 mol 223 unq 3 iso 0 dist 6.82737 4.67731 6.13306 10.6785 7.12885 8.6166 9.73123 9.63911 9.33543 5.39728 numMergedOcc 0
20 mol 223 unq 4 iso 0 dist 6.80967 7.19485 6.13306 9.5211 6.52273 8.77153 5.50267 4.40141 6.42257 4.04036 numMergedOcc 0
21 mol 223 unq 5 iso 0 dist 6.80967 7.19485 6.13306 9.5211 6.52273 8.77153 15.0085 9.63911 9.33543 13.1538 numMergedOcc 0
22 mol 223 unq 6 iso 0 dist 6.80967 7.19485 6.13306 13.3416 7.12885 8.6166 5.50267 4.40141 6.42257 9.47076 numMergedOcc 0
23 mol 223 unq 7 iso 0 dist 6.80967 7.19485 6.13306 13.3416 7.12885 8.6166 15.0085 9.63911 9.33543 5.39728 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 13.9401 11.0628 7.22101 10.7273 7.3164 5.23634 5.0317 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 5.05201 9.08827 8.38865 15.5036 12.9587 7.09863 10.7273 7.3164 5.23634 5.83175 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 5.05201 5.70988 5.4694 13.9401 11.0628 8.65997 10.7273 7.3164 6.91318 5.0317 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 6.29118 4.90814 7.83711 11.2186 8.25884 8.27212 9.11418 8.03712 6.71524 5.10213 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 4.7359 6.16697 7.5366 5.89084 5.63086 9.45496 12.4723 11.0592 7.81215 12.4252 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 4.7359 6.16697 7.5366 8.47009 5.6819 6.7625 12.4723 11.0592 7.81215 5.75498 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 8.46518 4.53213 6.17052 8.71859 5.99459 7.69895 7.90773 7.14182 9.05018 4.58289 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 6.88874 5.26867 6.86945 9.73021 5.25252 7.19638 4.54745 4.34126 7.15764 7.40852 numMergedOcc 0
