0 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 4.97119 6.41575 13.1234 6.39966 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 4.97119 6.41575 11.3136 6.39966 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 4.97119 6.41575 5.82366 6.39966 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 6.01808 6.41575 11.3136 6.39966 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 4.97119 6.41423 13.1234 6.39966 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 4.97119 6.41423 11.3136 6.39966 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 4.97119 6.41423 5.82366 6.39966 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 5.81959 8.4666 9.96732 5.68392 6.85556 9.71382 11.3646 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 5.11416 9.24757 7.10439 6.48232 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 6.56633 9.24757 7.10439 6.48232 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 7.1589 6.37974 12.5072 9.29301 9.82915 10.0297 8.70863 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 8.09967 7.54568 11.8261 12.1999 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 12.2861 8.30845 9.44658 20.8516 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 15.5385 8.76378 18.5425 21.7784 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 12.2861 8.30845 9.44658 13.9603 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 15.5385 8.76378 18.5425 21.4058 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.77116 3.78311 8.96522 7.20179 6.52773 11.8717 8.8562 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 7.77116 3.78311 8.96522 9.89358 9.23858 15.8603 7.91683 numMergedOcc 0
18 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 9.46588 5.5703 5.83002 6.0268 6.30546 7.36017 5.94233 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 8.71039 5.89022 8.15392 8.23791 9.90168 11.4282 5.56627 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 8.23791 9.90168 11.4282 8.50562 numMergedOcc 0
21 mol 131 unq 2 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 13.7237 9.90168 11.4282 8.50562 numMergedOcc 0
22 mol 131 unq 3 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 13.7237 9.90168 16.3398 8.50562 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 5.53031 5.35679 11.9544 5.71679 7.69991 8.73604 10.0154 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 4.57832 6.23142 8.73604 9.30061 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 5.53031 8.46636 11.9544 5.71679 6.23142 8.73604 10.0154 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 4.57832 9.94764 8.73604 9.30061 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.51749 13.8722 10.4684 6.6251 6.2479 9.06217 10.8541 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.51749 13.8722 12.69 6.6251 6.2479 7.13252 10.8541 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 6.51749 5.93488 10.4684 5.6044 9.72611 10.3766 7.11785 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 5.98885 6.94688 5.86342 6.51749 5.93488 10.4684 6.6251 7.99195 9.06217 10.8541 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 5.98885 6.71012 9.14057 6.51749 5.93488 12.69 5.6044 9.72611 10.7723 7.11785 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 5.98885 6.71012 9.14057 6.51749 5.93488 12.69 6.6251 7.99195 7.13252 10.8541 numMergedOcc 0
33 mol 204 unq 0 iso 0 dist 8.51516 5.90931 12.9483 6.85441 5.74707 10.7974 5.86489 7.32294 11.641 5.91727 numMergedOcc 0
34 mol 209 unq 0 iso 0 dist 7.56373 9.52027 6.43758 8.41195 4.90038 9.02883 6.552 6.85935 12.3767 7.97418 numMergedOcc 0
35 mol 220 unq 0 iso 0 dist 9.23153 6.84247 6.7067 5.45036 6.17628 5.49803 7.11498 6.59716 9.7334 5.37796 numMergedOcc 0
36 mol 220 unq 1 iso 0 dist 9.23153 6.84247 6.7067 9.97586 14.0253 7.44322 7.11498 6.59716 9.7334 15.9038 numMergedOcc 0
37 mol 220 unq 2 iso 0 dist 9.23153 6.99002 15.9568 5.45036 6.17628 11.2241 7.11498 6.59716 13.5801 5.37796 numMergedOcc 0
38 mol 220 unq 3 iso 0 dist 9.23153 6.99002 15.9568 9.97586 14.0253 9.68359 7.11498 6.59716 13.5801 15.9038 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 6.35849 7.43071 12.2922 14.3567 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 10.9607 5.41321 7.57454 12.135 numMergedOcc 0
41 mol 227 unq 2 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 10.204 7.43071 19.0662 14.3567 numMergedOcc 0
42 mol 227 unq 3 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 9.72615 5.41321 14.0608 12.135 numMergedOcc 0
43 mol 227 unq 4 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 10.204 7.43071 12.2922 14.3567 numMergedOcc 0
44 mol 227 unq 5 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 9.72615 5.41321 7.57454 12.135 numMergedOcc 0
45 mol 227 unq 6 iso 0 dist 7.55216 8.83563 11.662 5.87815 10.6244 4.3387 9.32448 7.43071 10.4957 11.5062 numMergedOcc 0
46 mol 227 unq 7 iso 0 dist 7.55216 8.83563 11.662 5.87815 10.6244 4.3387 6.48027 5.41321 13.792 11.0303 numMergedOcc 0
47 mol 227 unq 8 iso 0 dist 7.09863 8.17891 9.13836 8.38865 12.9587 5.92529 6.35849 6.02296 12.2922 14.3567 numMergedOcc 0
