0 mol 14 unq 0 iso 0 dist 6.11408 5.35021 5.16461 11.3079 11.3232 9.42142 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 7.57227 7.77338 9.01319 5.85002 13.1294 9.33754 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.57749 4.52009 7.28199 8.59074 9.59265 6.23298 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 6.57749 4.52009 7.28199 10.4436 13.1115 9.85405 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.33546 9.01561 14.0643 8.85189 15.0346 9.09665 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.72494 6.13194 11.0116 6.21393 10.9486 6.71671 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 8.70106 6.13194 13.5214 6.21393 10.0476 6.71671 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.54701 8.91758 6.16644 7.72465 9.00829 5.28955 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.58344 6.61966 5.81849 4.85533 10.7186 6.67306 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 5.68879 6.61966 5.7998 4.85533 9.34752 6.67306 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.57623 6.46753 6.39358 4.8564 10.6821 8.88979 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.95717 6.30762 4.1643 9.30741 9.09918 8.89412 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.46578 6.90904 6.63023 6.53566 5.9962 9.63488 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 4.46578 6.90904 6.63023 4.77272 8.61448 9.31907 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 8.80448 7.76167 8.44462 5.92269 12.3087 6.60739 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 8.80448 8.63766 7.06829 5.92269 12.3087 9.22427 numMergedOcc 0
16 mol 148 unq 2 iso 0 dist 8.80448 8.42082 13.2635 5.92269 12.3087 5.55129 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.78855 7.83202 8.51103 5.95123 12.3883 6.71763 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 8.78855 8.7107 7.13108 5.95123 12.3883 9.32504 numMergedOcc 0
19 mol 150 unq 2 iso 0 dist 8.78855 8.47493 13.2655 5.95123 12.3883 5.53778 numMergedOcc 0
20 mol 211 unq 0 iso 0 dist 8.62935 8.47937 5.63202 8.40497 11.9707 7.38723 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 9.71938 8.85653 10.4766 4.0145 12.3561 9.71653 numMergedOcc 0
