0 mol 67 unq 0 iso 0 dist 8.34804 8.39857 14.8076 8.4702 8.43533 10.4968 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 7.21809 7.00234 6.99469 9.56859 4.08651 10.4187 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 5.69055 7.30652 6.99469 5.75135 4.08651 10.4187 numMergedOcc 0
3 mol 116 unq 0 iso 0 dist 7.67429 9.62357 6.42183 8.50194 8.53743 5.94177 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 9.3586 9.73865 12.4791 9.48934 15.393 10.3186 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 9.21476 5.47265 9.82809 8.76449 9.03848 10.0388 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 9.21476 5.47265 9.82809 8.36182 5.58015 9.71714 numMergedOcc 0
7 mol 163 unq 0 iso 0 dist 8.66172 9.24754 13.6047 9.37245 16.5748 5.57089 numMergedOcc 0
8 mol 163 unq 1 iso 0 dist 6.89529 9.24754 8.08989 9.37245 4.09125 5.57089 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 9.65404 8.39087 4.49322 8.95296 8.2701 11.1876 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 8.2968 8.85182 4.94279 9.1549 5.55352 4.49455 numMergedOcc 0
11 mol 185 unq 1 iso 0 dist 8.2968 5.7065 7.94486 9.1549 5.55352 9.70184 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 7.84215 9.44038 4.39855 8.87165 3.50159 7.85193 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 5.33103 5.70065 9.12311 9.49242 13.5812 5.81094 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 5.33103 5.70065 9.12311 9.25184 10.061 6.59517 numMergedOcc 0
15 mol 210 unq 2 iso 0 dist 9.01301 5.70065 7.75472 9.49242 12.9549 5.81094 numMergedOcc 0
16 mol 210 unq 3 iso 0 dist 9.01301 5.70065 7.75472 9.25184 5.11839 6.59517 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 8.72578 7.81825 13.7573 8.99517 12.1223 4.73292 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 8.80103 7.81825 3.6199 8.99517 5.32856 4.73292 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 9.26313 6.94194 10.483 8.69334 7.27142 10.4402 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.17911 5.9223 14.8337 6.61322 13.3447 5.05766 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 8.55037 9.64435 15.9813 7.48987 13.8815 10.528 numMergedOcc 0
22 mol 294 unq 1 iso 0 dist 8.55037 9.64435 15.9813 8.35637 12.3727 4.83566 numMergedOcc 0
23 mol 294 unq 2 iso 0 dist 5.71656 9.64435 6.19638 7.48987 5.13965 10.528 numMergedOcc 0
24 mol 294 unq 3 iso 0 dist 5.71656 9.64435 6.19638 8.35637 7.32602 4.83566 numMergedOcc 0
