0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 11.4481 7.88043 10.2446 4.65291 5.99459 6.88805 8.0744 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.8464 5.0893 8.41585 13.9708 8.80762 12.3097 4.65291 5.99459 6.88805 11.7002 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 7.76481 8.82176 13.0114 5.40533 9.95132 8.27828 12.9345 numMergedOcc 0
3 mol 60 unq 1 iso 0 dist 7.7654 9.47656 8.90863 7.76481 8.82176 13.0114 4.70443 7.48086 7.80499 5.71764 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 7.39648 7.33422 6.82174 11.3963 7.7068 6.36397 6.33204 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 7.39648 7.33422 7.91778 11.3963 7.7068 4.41789 6.33204 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 7.39648 7.33422 10.121 11.3963 7.7068 5.59906 6.33204 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 4.70745 5.34214 9.14441 9.45977 7.07971 4.69373 6.8409 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 7.36759 8.03372 6.67948 11.7456 5.58833 9.00231 7.06894 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 6.42706 5.12351 5.83384 7.79894 8.03372 6.67948 7.04681 5.58833 9.00231 7.06894 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.16358 10.0911 8.94367 11.868 8.20836 9.4027 7.07082 7.21868 8.06642 4.935 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.16358 9.66197 9.86662 11.868 8.20836 5.12325 7.07082 7.21868 4.00092 4.935 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 6.80181 4.92088 10.1489 11.4463 9.11204 8.44333 7.79894 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 6.80181 4.92088 8.27339 11.4463 9.11204 6.8202 7.79894 numMergedOcc 0
14 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 6.80181 4.92088 9.79302 11.4463 9.11204 14.9499 7.79894 numMergedOcc 0
15 mol 178 unq 3 iso 0 dist 9.63185 5.37264 8.81551 6.80181 4.92088 8.65097 11.4463 9.11204 14.2467 7.79894 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 4.80028 6.85441 8.17229 14.13 7.9133 10.7169 9.54203 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 4.80028 6.85441 5.74707 14.13 7.9133 5.57347 9.54203 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.92165 10.1227 9.65138 13.4719 6.38157 7.38025 14.5969 7.46481 11.4955 5.73082 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 9.92165 6.83063 7.14453 13.4719 6.38157 9.35273 14.5969 7.46481 8.459 5.73082 numMergedOcc 0
20 mol 214 unq 2 iso 0 dist 9.92165 12.7439 8.85478 13.4719 6.38157 5.63388 14.5969 7.46481 11.1534 5.73082 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 6.00427 8.48341 6.03524 4.54951 6.74196 8.84507 9.0716 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 6.77368 8.47937 6.00706 6.00427 8.48341 6.03524 10.5815 8.36842 6.02502 10.5383 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 6.77368 8.47937 6.00706 6.00427 8.48341 6.03524 10.7456 9.75472 5.18677 8.90753 numMergedOcc 0
24 mol 222 unq 3 iso 0 dist 6.77368 10.4837 7.54212 6.00427 8.48341 7.60395 4.54951 6.74196 12.8595 9.0716 numMergedOcc 0
25 mol 222 unq 4 iso 0 dist 6.77368 10.4837 7.54212 6.00427 8.48341 7.60395 10.5815 8.36842 12.5866 10.5383 numMergedOcc 0
26 mol 222 unq 5 iso 0 dist 6.77368 10.4837 7.54212 6.00427 8.48341 7.60395 10.7456 9.75472 11.9567 8.90753 numMergedOcc 0
27 mol 222 unq 6 iso 0 dist 7.73634 4.81992 6.00706 10.8503 8.48341 6.03524 11.1253 6.74196 8.84507 9.0716 numMergedOcc 0
28 mol 222 unq 7 iso 0 dist 7.73634 4.81992 6.00706 10.8503 8.48341 6.03524 5.10026 8.36842 6.02502 10.5383 numMergedOcc 0
29 mol 222 unq 8 iso 0 dist 7.73634 4.81992 6.00706 10.8503 8.48341 6.03524 5.90399 9.75472 5.18677 8.90753 numMergedOcc 0
30 mol 222 unq 9 iso 0 dist 7.73634 9.69122 7.54212 10.8503 8.48341 7.60395 11.1253 6.74196 12.8595 9.0716 numMergedOcc 0
31 mol 222 unq 10 iso 0 dist 7.73634 9.69122 7.54212 10.8503 8.48341 7.60395 5.10026 8.36842 12.5866 10.5383 numMergedOcc 0
32 mol 222 unq 11 iso 0 dist 7.73634 9.69122 7.54212 10.8503 8.48341 7.60395 5.90399 9.75472 11.9567 8.90753 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 5.86596 8.38865 11.0628 5.92282 5.23634 5.0317 7.3164 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 8.27093 10.9533 7.09863 5.86596 8.38865 12.9587 5.92282 5.23634 5.83175 7.3164 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 9.02226 10.9396 8.65997 5.86596 5.4694 11.0628 5.92282 6.91318 5.0317 7.3164 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 15.7632 8.50331 7.22918 16.5242 9.3206 4.27181 5.59363 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 15.7632 8.50331 9.05842 16.5242 9.3206 4.89609 5.59363 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 7.87233 10.5269 6.27581 15.7632 8.50331 7.00028 16.5242 9.3206 10.5774 5.59363 numMergedOcc 0
