0 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 16.0036 13.0088 8.73253 13.2119 11.5412 6.56633 6.48232 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 8.40844 8.124 5.44275 16.0036 10.5067 8.73253 13.2119 11.2253 6.56633 6.48232 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 6.99156 8.124 8.0624 16.0036 14.8476 8.73253 13.2119 14.5478 6.56633 6.48232 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.87856 7.00285 9.94628 10.8678 10.8121 5.88354 6.04768 11.3708 4.67519 6.62972 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.2491 7.00285 5.39087 10.8678 11.2452 5.88354 6.04768 7.43547 4.67519 6.62972 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 3.59451 8.02354 5.39087 13.5865 11.2452 5.88354 9.40173 7.43547 4.67519 6.62972 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 8.26758 6.26542 10.844 7.63357 12.9581 8.8368 13.1306 19.207 14.5457 6.62972 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 6.89245 12.4974 7.77116 14.0057 16.3104 7.20179 8.8562 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.26463 8.88255 9.35307 6.89245 12.4974 7.77116 8.61574 13.6411 9.89358 7.91683 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 9.07096 7.85527 11.2951 5.53632 13.5527 7.99623 8.05937 6.4025 7.45148 9.9151 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 11.8905 7.5344 8.86329 17.5551 11.4585 10.3369 8.92828 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 7.8034 9.33945 8.25445 11.8905 7.5344 8.86329 12.7271 6.14427 7.7567 5.56627 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.51265 7.34465 13.1327 7.97183 11.4006 6.69515 12.3922 14.3045 10.1386 4.46777 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.51265 7.34465 13.1327 7.97183 11.4006 6.69515 13.2114 17.3852 7.42649 6.94988 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 8.51265 9.47675 10.4653 7.97183 11.4006 7.86572 12.3922 14.3045 10.1432 4.46777 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 8.51265 9.47675 10.4653 7.97183 11.4006 7.86572 13.2114 17.3852 9.43674 6.94988 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 5.98076 4.851 8.31343 11.3699 11.6289 9.20961 14.8197 14.1791 10.9043 8.3087 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 6.71715 6.50846 5.45036 7.58118 4.39102 7.11498 5.37796 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 7.26742 12.5498 7.862 13.4892 15.9714 7.75466 9.08955 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 7.10689 8.7419 8.81265 7.26742 12.5498 7.862 13.509 18.444 12.1951 8.88664 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 7.10689 8.7419 8.81265 7.26742 12.5498 7.862 13.6 18.5653 11.6161 7.16819 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 8.14937 14.5658 5.87815 13.8004 18.0436 6.67321 7.95359 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 10.1088 10.3524 6.41286 9.70309 7.13822 6.33877 8.34416 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 5.00735 5.62804 7.07028 10.1088 10.3524 6.41286 10.5172 10.3005 5.0515 6.34832 numMergedOcc 0
24 mol 230 unq 2 iso 0 dist 6.73755 5.62804 5.26217 10.1088 10.4504 6.41286 9.70309 4.76387 6.33877 8.34416 numMergedOcc 0
25 mol 230 unq 3 iso 0 dist 6.73755 5.62804 5.26217 10.1088 10.4504 6.41286 10.5172 7.15627 5.0515 6.34832 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.78444 8.7017 7.87566 5.71442 13.5774 8.67805 6.47859 10.225 5.05321 5.0804 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 12.2193 14.7484 7.99477 20.2408 20.0534 13.2927 9.91199 numMergedOcc 0
