0 mol 18 unq 0 iso 0 dist 8.43157 4.96555 5.65084 13.7283 12.6536 9.51761 11.1909 4.8604 7.55766 12.4713 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.43157 4.96555 5.65084 11.0264 9.36767 7.3094 11.1909 4.8604 7.55766 6.48196 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.10473 13.7275 7.52933 13.353 5.03027 5.04899 10.3004 7.41888 6.6492 9.20601 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.94577 9.36442 4.79873 16.0243 10.2864 7.57578 9.63722 6.86525 6.90155 9.36158 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.94577 9.36442 4.79873 14.4726 11.4148 7.17969 9.63722 6.86525 6.90155 10.1525 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.20827 13.7275 8.23761 13.353 8.17061 5.04899 10.3004 4.38027 6.6492 9.20601 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 12.5807 5.07458 5.73819 12.1913 4.69849 8.44903 5.48048 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 9.04174 9.97169 6.66407 12.2944 5.07458 5.73819 9.33162 4.69849 8.44903 5.48048 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 9.23033 6.6796 6.6263 13.3486 5.41726 8.80331 9.41473 4.55347 9.93832 9.06158 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 9.23033 10.2523 6.75943 12.49 4.96926 5.73819 9.41473 4.55347 8.60739 5.64171 numMergedOcc 0
10 mol 43 unq 4 iso 0 dist 9.23033 10.2523 6.75943 13.3486 5.41726 6.20293 9.41473 4.55347 8.60739 9.06158 numMergedOcc 0
11 mol 43 unq 5 iso 0 dist 9.23033 10.2523 6.75943 17.9394 10.0383 8.93915 9.41473 4.55347 8.60739 11.3891 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 14.6361 11.2069 8.70481 6.59232 5.50891 8.85586 14.8866 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 7.91605 6.71593 5.5087 14.6361 11.2069 8.70481 9.46102 7.50869 7.11 8.05119 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.43707 6.71593 6.08682 14.6361 10.6713 8.70481 6.59232 4.75954 8.85586 14.8866 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 6.43707 6.71593 6.08682 14.6361 10.6713 8.70481 9.46102 3.6807 7.11 8.05119 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.98077 5.50335 6.93139 10.0634 4.97996 8.70949 11.9913 6.76477 8.33077 5.97111 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 8.21936 9.20754 7.18002 15.1896 13.5913 9.2313 17.4123 11.093 9.17106 12.6057 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 8.21936 9.20754 7.18002 14.4987 9.99555 7.73169 17.4123 11.093 9.17106 8.38032 numMergedOcc 0
19 mol 142 unq 2 iso 0 dist 8.21936 9.20754 7.18002 13.691 6.52253 8.96657 17.4123 11.093 9.17106 8.16815 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 6.45477 4.98373 7.36975 9.73212 13.1926 5.99315 10.5147 9.05786 8.41611 12.7056 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 6.45477 4.98373 7.36975 9.73212 13.1926 5.99315 8.98581 3.75378 7.63338 12.8872 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 6.45477 4.98373 7.36975 9.73212 13.1926 5.99315 14.0141 14.0356 9.03707 7.76364 numMergedOcc 0
23 mol 143 unq 3 iso 0 dist 6.45477 4.98373 7.36975 9.73212 13.1926 5.99315 11.183 9.30534 7.25673 9.23795 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.78112 9.66339 8.9192 9.10619 4.84714 8.56324 14.8536 7.11377 9.77552 9.35627 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.82338 10.568 6.61112 16.7935 11.0961 7.54065 9.51006 8.58039 7.20574 8.90184 numMergedOcc 0
26 mol 223 unq 0 iso 0 dist 8.85178 4.67731 6.42257 12.0111 4.04036 8.77153 6.82737 4.40141 6.13306 6.52273 numMergedOcc 0
27 mol 223 unq 1 iso 0 dist 8.85178 4.67731 6.42257 10.6785 9.47076 8.6166 6.82737 4.40141 6.13306 7.12885 numMergedOcc 0
28 mol 223 unq 2 iso 0 dist 9.73123 4.67731 9.33543 12.0111 13.1538 8.77153 6.82737 9.63911 6.13306 6.52273 numMergedOcc 0
29 mol 223 unq 3 iso 0 dist 9.73123 4.67731 9.33543 10.6785 5.39728 8.6166 6.82737 9.63911 6.13306 7.12885 numMergedOcc 0
30 mol 223 unq 4 iso 0 dist 7.8233 5.39302 6.42257 10.8604 4.04036 8.77153 9.69199 4.40141 6.13306 6.52273 numMergedOcc 0
31 mol 223 unq 5 iso 0 dist 7.8233 5.39302 6.42257 13.7049 9.47076 8.6166 9.69199 4.40141 6.13306 7.12885 numMergedOcc 0
32 mol 223 unq 6 iso 0 dist 5.50267 7.19485 6.42257 9.5211 4.04036 8.77153 6.80967 4.40141 6.13306 6.52273 numMergedOcc 0
33 mol 223 unq 7 iso 0 dist 5.50267 7.19485 6.42257 13.3416 9.47076 8.6166 6.80967 4.40141 6.13306 7.12885 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 9.11418 4.90814 6.71524 11.2186 5.10213 8.27212 6.29118 8.03712 7.83711 8.25884 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 6.83837 7.34986 9.08509 10.5481 12.7938 6.22714 9.75315 6.94907 5.64181 10.216 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 6.83837 7.34986 9.08509 11.963 11.0772 7.31233 9.75315 6.94907 5.64181 7.83352 numMergedOcc 0
37 mol 248 unq 0 iso 0 dist 7.90773 4.53213 9.05018 8.71859 4.58289 7.69895 8.46518 7.14182 6.17052 5.99459 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 9.73021 7.40852 7.19638 6.88874 4.34126 6.86945 5.25252 numMergedOcc 0
