0 mol 0 unq 0 iso 0 dist 7.37981 12.7599 9.6994 10.169 9.23213 5.08793 6.58151 6.26831 6.34883 4.04089 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 12.7599 9.6994 11.9257 8.81979 5.63197 6.58151 6.26831 6.34883 7.56754 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.37981 13.3337 7.15528 10.169 9.23213 10.4498 6.58151 6.26831 9.19662 4.04089 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.37981 13.3337 7.15528 11.9257 8.81979 5.52201 6.58151 6.26831 9.19662 7.56754 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.19621 9.95 9.6994 11.8799 9.23213 5.08793 8.69991 6.26831 6.34883 4.04089 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 7.19621 9.95 9.6994 5.13546 8.81979 5.63197 8.69991 6.26831 6.34883 7.56754 numMergedOcc 0
6 mol 0 unq 6 iso 0 dist 7.19621 6.83587 7.15528 11.8799 9.23213 10.4498 8.69991 6.26831 9.19662 4.04089 numMergedOcc 0
7 mol 0 unq 7 iso 0 dist 7.19621 6.83587 7.15528 5.13546 8.81979 5.52201 8.69991 6.26831 9.19662 7.56754 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 10.453 8.71128 5.80557 10.9798 6.34525 11.128 14.3491 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 9.54928 7.01529 6.06638 13.0595 7.75534 7.01257 12.3511 9.46588 5.5703 5.83002 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 10.4276 6.91348 6.19596 13.3078 9.29384 9.32969 6.01893 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.97145 14.257 6.85062 14.8011 9.51418 6.6499 13.3078 9.29384 9.32969 15.1974 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 6.5874 7.60371 6.85062 4.96935 6.91348 6.19596 10.6416 9.29384 9.32969 6.01893 numMergedOcc 0
13 mol 131 unq 3 iso 0 dist 6.5874 7.60371 6.85062 7.83921 9.51418 6.6499 10.6416 9.29384 9.32969 15.1974 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 5.81429 7.15475 9.49653 9.05212 9.17106 12.6057 5.14959 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 5.81429 7.15475 7.53854 9.05212 9.17106 8.38032 5.14959 numMergedOcc 0
16 mol 142 unq 2 iso 0 dist 7.57458 14.2067 8.96657 5.81429 7.15475 10.3477 9.05212 9.17106 8.16815 5.14959 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 13.7622 9.52634 9.11521 11.9192 5.4969 12.3408 11.4433 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 9.00898 5.96451 9.29945 13.7622 9.52634 9.11521 11.0956 6.4318 8.68081 6.38017 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 9.00898 5.96451 9.29945 13.7622 9.52634 9.11521 15.1521 7.35824 12.5754 6.05776 numMergedOcc 0
20 mol 175 unq 3 iso 0 dist 9.00898 5.96451 9.29945 13.7622 9.52634 9.11521 13.624 9.17364 10.0424 5.85047 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 11.6559 8.96511 10.5783 5.49143 4.92088 10.1489 7.07052 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 11.6559 8.96511 5.96647 5.49143 4.92088 8.27339 7.07052 numMergedOcc 0
23 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 11.6559 8.96511 12.075 5.49143 4.92088 9.79302 7.07052 numMergedOcc 0
24 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 11.6559 8.96511 9.92132 5.49143 4.92088 8.65097 7.07052 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 13.4309 6.97182 6.16485 5.20422 6.38157 7.38025 9.26037 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 8.49704 12.4611 9.65138 13.5787 6.1175 11.5712 5.20422 6.38157 7.38025 11.353 numMergedOcc 0
27 mol 214 unq 2 iso 0 dist 8.49704 11.832 7.14453 13.4309 6.97182 5.33565 5.20422 6.38157 9.35273 9.26037 numMergedOcc 0
28 mol 214 unq 3 iso 0 dist 8.49704 11.832 7.14453 13.5787 6.1175 5.06792 5.20422 6.38157 9.35273 11.353 numMergedOcc 0
29 mol 214 unq 4 iso 0 dist 8.49704 10.644 8.85478 13.4309 6.97182 8.47007 5.20422 6.38157 5.63388 9.26037 numMergedOcc 0
30 mol 214 unq 5 iso 0 dist 8.49704 10.644 8.85478 13.5787 6.1175 12.8334 5.20422 6.38157 5.63388 11.353 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 12.3402 6.84247 6.7067 12.6425 5.45036 6.17628 5.49803 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 7.31105 14.6296 9.23153 12.3402 6.84247 6.7067 12.3625 9.97586 14.0253 7.44322 numMergedOcc 0
33 mol 220 unq 2 iso 0 dist 7.31105 14.6296 9.23153 7.84277 6.99002 15.9568 12.6425 5.45036 6.17628 11.2241 numMergedOcc 0
34 mol 220 unq 3 iso 0 dist 7.31105 14.6296 9.23153 7.84277 6.99002 15.9568 12.3625 9.97586 14.0253 9.68359 numMergedOcc 0
35 mol 220 unq 4 iso 0 dist 7.31105 9.52692 8.24498 12.3402 6.84247 6.05129 12.6425 5.45036 10.4136 5.49803 numMergedOcc 0
36 mol 220 unq 5 iso 0 dist 7.31105 9.52692 8.24498 12.3402 6.84247 6.05129 12.3625 9.97586 6.20511 7.44322 numMergedOcc 0
37 mol 220 unq 6 iso 0 dist 7.31105 9.52692 8.24498 7.84277 6.99002 11.1321 12.6425 5.45036 10.4136 11.2241 numMergedOcc 0
38 mol 220 unq 7 iso 0 dist 7.31105 9.52692 8.24498 7.84277 6.99002 11.1321 12.3625 9.97586 6.20511 9.68359 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 9.90298 6.16063 11.3297 10.3269 9.007 8.16888 7.54397 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 5.00515 10.2063 8.92474 9.90298 6.16063 10.2563 10.3269 9.007 5.3211 7.54397 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 9.31417 6.62361 5.72887 18.4149 9.29858 13.069 16.0652 7.32982 12.3808 6.48619 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 5.56719 5.96552 5.72887 14.7671 9.29858 13.069 11.468 7.32982 12.3808 6.48619 numMergedOcc 0
43 mol 253 unq 0 iso 0 dist 7.7993 13.0587 9.02271 14.5897 7.19465 7.92528 5.75734 7.77998 13.6942 14.5407 numMergedOcc 0
44 mol 253 unq 1 iso 0 dist 6.10761 4.70422 9.02271 8.77813 7.19465 7.92528 10.1636 7.77998 13.6942 14.5407 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 11.5698 9.09992 10.841 16.9167 9.19033 10.26 11.8912 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 9.1118 11.082 9.97651 11.0654 6.16449 4.72202 16.9167 9.19033 10.26 6.56154 numMergedOcc 0
47 mol 272 unq 2 iso 0 dist 9.1118 6.72149 8.46116 11.5698 9.09992 5.63139 16.9167 9.19033 13.5034 11.8912 numMergedOcc 0
48 mol 272 unq 3 iso 0 dist 9.1118 6.72149 8.46116 11.0654 6.16449 8.52877 16.9167 9.19033 13.5034 6.56154 numMergedOcc 0
