0 mol 19 unq 0 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 6.92532 5.18512 12.3486 15.1136 4.97119 6.41575 10.741 13.1234 6.39966 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 6.92532 5.18512 12.3486 6.87842 4.97119 6.41575 10.741 11.3136 6.39966 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 6.92532 5.18512 12.3486 6.34272 4.97119 6.41575 10.741 5.82366 6.39966 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 6.92532 5.18512 9.47529 15.1136 4.97119 6.41575 6.41423 13.1234 6.39966 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 6.92532 5.18512 9.47529 6.87842 4.97119 6.41575 6.41423 11.3136 6.39966 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 6.92532 5.18512 9.47529 6.34272 4.97119 6.41575 6.41423 5.82366 6.39966 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 6.92532 9.47529 12.3486 15.1136 4.97119 6.41423 10.741 13.1234 6.39966 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 6.92532 9.47529 12.3486 6.87842 4.97119 6.41423 10.741 11.3136 6.39966 numMergedOcc 0
8 mol 19 unq 8 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 6.92532 9.47529 12.3486 6.34272 4.97119 6.41423 10.741 5.82366 6.39966 numMergedOcc 0
9 mol 19 unq 9 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 6.92532 9.47529 5.18512 15.1136 4.97119 6.41423 6.41575 13.1234 6.39966 numMergedOcc 0
10 mol 19 unq 10 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 6.92532 9.47529 5.18512 6.87842 4.97119 6.41423 6.41575 11.3136 6.39966 numMergedOcc 0
11 mol 19 unq 11 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 6.92532 9.47529 5.18512 6.34272 4.97119 6.41423 6.41575 5.82366 6.39966 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 5.81959 8.4666 7.63409 9.96732 5.68392 6.85556 9.79094 9.71382 11.3646 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 7.04044 8.26458 15.7304 11.2505 5.11416 9.24757 13.8696 7.10439 6.48232 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 7.04044 8.26458 8.35241 11.2505 5.11416 9.24757 13.0145 7.10439 6.48232 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 7.1589 6.37974 5.08358 12.5072 9.29301 9.82915 12.0078 10.0297 8.70863 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 7.1589 5.08358 6.37974 12.5072 8.09967 7.54568 10.0796 11.8261 12.1999 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 9.00544 14.9392 11.8512 14.6145 12.2861 8.30845 10.6086 9.44658 20.8516 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 9.00544 14.9392 11.8512 14.6145 15.5385 8.76378 13.2102 18.5425 21.7784 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.12017 12.6602 9.52882 6.00843 12.2861 8.30845 10.6086 9.44658 13.9603 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.12017 12.6602 9.52882 6.00843 15.5385 8.76378 13.2102 18.5425 21.4058 numMergedOcc 0
21 mol 100 unq 4 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 9.00544 14.9392 9.01214 14.6145 12.2861 8.30845 18.1777 9.44658 20.8516 numMergedOcc 0
22 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 9.00544 14.9392 9.01214 14.6145 15.5385 8.76378 14.0386 18.5425 21.7784 numMergedOcc 0
23 mol 100 unq 6 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.12017 12.6602 14.8674 6.00843 12.2861 8.30845 18.1777 9.44658 13.9603 numMergedOcc 0
24 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.12017 12.6602 14.8674 6.00843 15.5385 8.76378 14.0386 18.5425 21.4058 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.53031 5.35679 8.46636 11.9544 5.71679 7.69991 6.23142 8.73604 10.0154 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.20836 9.4027 5.12325 9.65798 4.57832 6.23142 9.94764 8.73604 9.30061 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.53031 8.46636 5.35679 11.9544 5.71679 6.23142 7.69991 8.73604 10.0154 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.20836 5.12325 9.4027 9.65798 4.57832 9.94764 6.23142 8.73604 9.30061 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 6.51749 13.8722 5.93488 10.4684 6.6251 6.2479 7.99195 9.06217 10.8541 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 6.51749 13.8722 5.93488 12.69 6.6251 6.2479 7.99195 7.13252 10.8541 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 6.51749 13.8722 7.64267 10.4684 6.6251 6.2479 12.8533 9.06217 10.8541 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 6.51749 13.8722 7.64267 12.69 6.6251 6.2479 12.8533 7.13252 10.8541 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 6.51749 5.93488 13.8722 10.4684 5.6044 9.72611 14.2254 10.3766 7.11785 numMergedOcc 0
34 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 6.51749 5.93488 13.8722 10.4684 6.6251 7.99195 6.2479 9.06217 10.8541 numMergedOcc 0
35 mol 181 unq 6 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 6.51749 5.93488 13.8722 12.69 5.6044 9.72611 14.2254 10.7723 7.11785 numMergedOcc 0
36 mol 181 unq 7 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 6.51749 5.93488 13.8722 12.69 6.6251 7.99195 6.2479 7.13252 10.8541 numMergedOcc 0
37 mol 181 unq 8 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 6.51749 5.93488 7.64267 10.4684 5.6044 9.72611 10.428 10.3766 7.11785 numMergedOcc 0
38 mol 181 unq 9 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 6.51749 5.93488 7.64267 10.4684 6.6251 7.99195 12.8533 9.06217 10.8541 numMergedOcc 0
39 mol 181 unq 10 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 6.51749 5.93488 7.64267 12.69 5.6044 9.72611 10.428 10.7723 7.11785 numMergedOcc 0
40 mol 181 unq 11 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 6.51749 5.93488 7.64267 12.69 6.6251 7.99195 12.8533 7.13252 10.8541 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 6.85441 5.74707 8.17229 10.7974 5.86489 7.32294 11.5776 11.641 5.91727 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 6.84247 6.7067 6.05129 5.45036 6.17628 10.4136 5.49803 7.11498 6.59716 13.1498 9.7334 5.37796 numMergedOcc 0
43 mol 220 unq 1 iso 0 dist 9.23153 8.24498 10.5449 6.84247 6.7067 6.05129 9.97586 14.0253 6.20511 7.44322 7.11498 6.59716 13.1498 9.7334 15.9038 numMergedOcc 0
44 mol 220 unq 2 iso 0 dist 9.23153 8.24498 10.5449 6.99002 15.9568 11.1321 5.45036 6.17628 10.4136 11.2241 7.11498 6.59716 13.1498 13.5801 5.37796 numMergedOcc 0
45 mol 220 unq 3 iso 0 dist 9.23153 8.24498 10.5449 6.99002 15.9568 11.1321 9.97586 14.0253 6.20511 9.68359 7.11498 6.59716 13.1498 13.5801 15.9038 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 8.38865 11.0628 12.9587 5.92529 6.35849 7.43071 6.02296 12.2922 14.3567 numMergedOcc 0
47 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 8.38865 11.0628 12.9587 5.92529 10.9607 5.41321 9.74265 7.57454 12.135 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 8.38865 12.9587 11.0628 5.92529 6.35849 6.02296 7.43071 12.2922 14.3567 numMergedOcc 0
