0 mol 7 unq 0 iso 0 dist 6.8464 9.85147 5.99972 4.65291 5.99459 6.12483 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 5.68648 9.35502 7.03958 7.38068 6.56356 4.1204 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.60595 7.11548 6.42748 4.64441 8.85174 5.20798 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 9.20429 12.9573 7.07339 12.9186 7.16132 7.06251 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 9.20429 11.5117 7.23317 12.9186 7.16132 3.81228 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 9.27389 6.29197 7.26024 5.18148 6.17207 3.85627 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 9.27389 6.71259 6.36086 5.18148 6.17207 7.15683 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.67557 13.5302 7.54568 11.3963 7.7068 4.93735 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.41191 13.7792 7.80523 9.45977 7.07971 5.92927 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.75778 6.78281 8.88537 4.06619 6.00603 6.29388 numMergedOcc 0
10 mol 122 unq 1 iso 0 dist 8.75778 10.8777 9.23819 4.06619 6.00603 9.83972 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 8.59695 7.72162 9.36851 11.7456 5.58833 9.30433 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 8.59695 7.95267 4.97175 11.7456 5.58833 4.28744 numMergedOcc 0
13 mol 129 unq 2 iso 0 dist 6.42706 13.0193 9.36851 7.04681 5.58833 9.30433 numMergedOcc 0
14 mol 129 unq 3 iso 0 dist 6.42706 8.03693 4.97175 7.04681 5.58833 4.28744 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 7.04524 8.71774 9.26504 6.61895 9.03441 8.29668 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.44947 4.29037 9.68728 14.13 7.9133 14.0756 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.52924 5.63231 6.03688 10.3649 6.52816 5.28417 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 6.94789 10.0824 4.8668 6.16492 6.49765 9.86388 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 6.23932 5.00854 4.8668 9.99561 6.49765 9.86388 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 6.77368 6.49768 9.07471 4.54951 6.74196 4.67663 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 6.77368 6.49768 9.07471 10.5815 8.36842 6.37382 numMergedOcc 0
22 mol 222 unq 2 iso 0 dist 6.77368 6.49768 9.07471 10.7456 9.75472 6.31322 numMergedOcc 0
23 mol 222 unq 3 iso 0 dist 7.73634 10.3035 9.07471 11.1253 6.74196 4.67663 numMergedOcc 0
24 mol 222 unq 4 iso 0 dist 7.73634 10.3035 9.07471 5.10026 8.36842 6.37382 numMergedOcc 0
25 mol 222 unq 5 iso 0 dist 7.73634 10.3035 9.07471 5.90399 9.75472 6.31322 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.37841 4.73332 8.49177 7.90253 9.59325 3.78984 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.06236 7.45616 5.97664 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.06236 7.45616 5.97664 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.06236 7.45616 5.97664 numMergedOcc 0
