0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.68596 14.7759 13.0969 10.2446 7.88043 7.45262 11.024 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 9.68596 14.7759 13.0969 12.3097 8.80762 6.96586 15.0497 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.864 8.58657 5.5841 6.41423 4.97119 5.90856 9.47529 6.92532 11.2198 6.39966 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.33768 4.32034 5.90981 6.00575 6.60423 8.62284 9.69752 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 6.00575 6.60423 8.62284 12.7806 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 6.00575 6.60423 8.62284 9.36461 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 8.95682 6.18002 4.54282 9.06158 9.93832 16.8624 14.2655 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 8.95682 8.38399 4.54282 9.06158 8.60739 16.8624 14.2655 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 7.34143 7.18176 4.5482 6.31696 6.66056 6.29814 8.9759 9.9052 13.3077 11.1601 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 14.9392 9.00544 22.2111 20.8516 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 12.6602 7.12017 19.9317 13.9603 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 14.9392 9.00544 22.2111 21.7784 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 12.6602 7.12017 19.9317 21.4058 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 7.30357 10.4977 11.9671 6.44255 9.43259 10.8344 13.0899 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 8.34702 7.36119 11.787 7.30357 10.4977 11.9671 5.82636 6.2319 11.6744 10.6589 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 8.34702 7.36119 11.787 8.61587 12.4274 8.69711 6.44255 9.43259 10.8344 14.9434 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 8.34702 7.36119 11.787 8.61587 12.4274 8.69711 5.82636 6.2319 11.6744 13.5954 numMergedOcc 0
17 mol 156 unq 4 iso 0 dist 9.06726 7.36119 7.71144 7.30357 12.3086 11.9671 5.82636 9.97732 11.6744 10.6589 numMergedOcc 0
18 mol 156 unq 5 iso 0 dist 9.06726 7.36119 7.71144 8.61587 10.9151 8.69711 5.82636 9.97732 11.6744 13.5954 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 9.39352 7.27408 7.60254 4.24624 8.0154 12.0318 9.71028 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 9.72611 5.6044 9.87435 5.93488 6.51749 7.345 7.11785 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 5.98885 7.20046 5.4601 7.99195 6.6251 4.69841 5.93488 6.51749 7.345 10.8541 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 5.98885 7.13543 10.0524 9.72611 5.6044 14.6648 5.93488 6.51749 9.52987 7.11785 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 5.98885 7.13543 10.0524 7.99195 6.6251 7.23063 5.93488 6.51749 9.52987 10.8541 numMergedOcc 0
24 mol 181 unq 4 iso 0 dist 9.09537 7.20046 6.14208 9.72611 12.9468 9.87435 5.93488 7.20392 7.345 7.11785 numMergedOcc 0
25 mol 181 unq 5 iso 0 dist 9.09537 7.20046 6.14208 7.99195 10.09 4.69841 5.93488 7.20392 7.345 10.8541 numMergedOcc 0
26 mol 181 unq 6 iso 0 dist 9.09537 7.13543 5.95965 9.72611 12.9468 14.6648 5.93488 7.20392 9.52987 7.11785 numMergedOcc 0
27 mol 181 unq 7 iso 0 dist 9.09537 7.13543 5.95965 7.99195 10.09 7.23063 5.93488 7.20392 9.52987 10.8541 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 6.03688 8.15057 14.6029 5.28092 8.44861 5.42696 11.2584 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 6.03688 12.4957 14.6029 5.28092 5.60393 5.42696 11.2584 numMergedOcc 0
30 mol 209 unq 0 iso 0 dist 7.56373 7.95911 7.19056 6.85935 6.552 5.50596 4.90038 8.41195 11.4242 7.97418 numMergedOcc 0
