0 mol 7 unq 0 iso 0 dist 6.95017 9.17764 13.2047 5.1316 10.6923 6.14469 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.37127 6.9762 11.7919 10.5748 17.9435 8.0543 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.99047 6.27321 9.60291 11.3732 16.0547 6.74766 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.21015 9.84391 5.78064 8.30856 8.55826 8.42878 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 6.45731 6.32688 6.52429 7.00257 11.7813 7.48321 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.15205 9.63085 10.5299 7.37795 10.5869 5.87084 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.58727 9.29665 17.809 5.5502 12.509 6.84835 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.58727 9.29665 17.809 8.24649 14.8746 8.42748 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.61597 9.29665 8.87738 5.5502 11.1337 6.84835 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 8.61597 9.29665 8.87738 8.24649 10.1237 8.42748 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.85705 6.10556 5.63251 4.96213 5.66405 6.83404 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 8.95171 5.42285 5.6621 13.6106 8.75305 8.21184 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 8.95171 5.42285 5.6621 10.3208 5.13522 5.9976 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.10634 6.02094 5.96601 4.80772 9.71259 5.94379 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.82681 8.76308 4.93748 9.75326 8.53237 6.21159 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 9.07461 8.08581 8.06134 5.86896 11.3241 6.94789 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 9.17075 8.31182 14.8724 7.30886 9.34312 7.00243 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 4.66834 7.64361 11.8 9.95264 14.3257 8.20644 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 8.90911 7.64361 10.7039 9.95264 9.35976 8.20644 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 8.43383 6.53769 10.8195 10.1686 16.8542 7.34931 numMergedOcc 0
20 mol 284 unq 1 iso 0 dist 8.89995 6.53769 9.47092 10.1686 13.9565 7.34931 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.51034 8.25538 5.1517 7.64544 10.6514 6.95912 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.51034 8.25538 5.1517 7.64544 10.6514 6.95912 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.51034 8.25538 5.1517 7.64544 10.6514 6.95912 numMergedOcc 0
