0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 11.7941 7.05196 6.47509 12.8208 5.8503 8.6396 5.77745 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 10.4149 6.75943 5.41726 19.9966 11.8286 8.38387 12.266 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 5.63489 6.10127 10.5783 15.6763 10.4485 6.90827 15.0886 numMergedOcc 0
3 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 5.63489 6.10127 10.5783 18.1739 13.8755 8.90977 18.6425 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 5.22333 5.58833 9.00231 17.5691 10.0961 6.38163 14.5306 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 4.67452 9.27976 3.98662 8.74464 5.6098 6.31125 9.10434 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 3.48657 6.89918 12.9631 11.9089 4.90475 8.7366 10.6383 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 5.02648 7.20495 7.87971 8.01303 8.66436 5.59806 10.7297 numMergedOcc 0
8 mol 167 unq 1 iso 0 dist 6.64164 5.361 9.87651 12.0503 9.2289 12.0033 8.01303 8.66436 5.59806 11.298 numMergedOcc 0
9 mol 167 unq 2 iso 0 dist 6.64164 5.361 9.87651 10.1276 7.02548 11.6011 8.01303 8.66436 5.59806 11.5835 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 5.85969 5.56538 6.84862 12.4611 16.4881 9.55777 15.2698 numMergedOcc 0
11 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 9.34147 7.48954 9.53117 12.4611 16.4881 9.55777 16.9252 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 13.1414 9.72188 7.06793 18.1418 12.521 9.94315 7.13727 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 7.13194 9.05069 5.72887 13.1414 9.72188 7.06793 15.8518 9.18011 8.59074 8.56975 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 7.13194 9.05069 5.72887 13.1414 9.72188 7.06793 11.3226 4.7157 6.2365 10.5721 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 7.80166 6.77788 5.72887 6.10342 9.72188 7.06793 12.7061 12.521 9.94315 7.13727 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 7.80166 6.77788 5.72887 6.10342 9.72188 7.06793 12.3224 9.18011 8.59074 8.56975 numMergedOcc 0
17 mol 238 unq 5 iso 0 dist 7.80166 6.77788 5.72887 6.10342 9.72188 7.06793 11.0982 4.7157 6.2365 10.5721 numMergedOcc 0
18 mol 238 unq 6 iso 0 dist 9.2521 12.8083 6.22714 12.95 9.08509 12.7938 20.1729 12.2428 9.66555 12.6412 numMergedOcc 0
19 mol 238 unq 7 iso 0 dist 9.2521 12.8083 6.22714 12.95 9.08509 12.7938 17.3899 8.66185 8.67205 9.72795 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 9.41512 9.46361 12.2293 16.214 10.4985 5.90645 16.793 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 4.54051 7.20674 7.8414 9.22345 8.04474 9.30668 5.72473 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 5.69465 8.46956 8.2734 5.92893 8.38121 14.179 9.22345 8.04474 9.30668 12.7549 numMergedOcc 0
