0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 5.92202 14.3332 8.26708 7.4817 9.12196 7.73435 10.5521 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.00903 6.09918 7.94662 5.92202 14.3332 8.26708 7.63941 12.0025 5.71995 7.15595 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 8.79272 11.2076 7.12263 5.7531 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 6.32152 10.715 5.00267 11.0223 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 8.96553 7.3915 7.43529 9.22548 12.9396 6.24978 8.79272 11.2076 7.12263 4.88215 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 8.96553 7.3915 7.43529 9.22548 12.9396 6.24978 6.32152 10.715 5.00267 6.80407 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 8.96553 7.3915 7.43529 7.96511 14.7769 9.66439 8.79272 11.2076 7.12263 6.36434 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 8.96553 7.3915 7.43529 7.96511 14.7769 9.66439 6.32152 10.715 5.00267 8.44094 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 10.8007 15.679 7.48847 10.3648 17.4261 7.69625 8.19436 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 7.20519 6.92532 12.3486 5.03957 12.1187 6.36455 10.3648 17.4261 7.69625 6.49317 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 4.54938 6.92532 5.18512 10.8007 9.78944 7.48847 10.3648 11.6624 7.69625 8.19436 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 4.54938 6.92532 5.18512 5.03957 7.82074 6.36455 10.3648 11.6624 7.69625 6.49317 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 7.82074 6.36455 5.18512 10.6598 9.78944 7.48847 6.49317 11.6624 7.69625 8.19436 numMergedOcc 0
13 mol 19 unq 5 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 6.49317 11.6624 7.69625 10.3648 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 6.864 6.92532 9.47529 10.8007 9.56313 7.48847 10.3648 13.8921 7.69625 8.19436 numMergedOcc 0
15 mol 19 unq 7 iso 0 dist 6.864 6.92532 9.47529 5.03957 11.0366 6.36455 10.3648 13.8921 7.69625 6.49317 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.05502 11.573 7.83786 6.58998 10.7114 9.38831 11.0493 numMergedOcc 0
17 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 7.05502 10.5273 7.83786 6.58998 6.72502 9.38831 11.0493 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 9.48345 11.2485 9.40479 13.1456 numMergedOcc 0
19 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 14.4162 11.9933 9.58012 10.0655 numMergedOcc 0
20 mol 24 unq 4 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 13.1456 11.2485 9.40479 9.48345 numMergedOcc 0
21 mol 24 unq 5 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 10.0655 11.9933 9.58012 14.4162 numMergedOcc 0
22 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 8.13395 10.5523 9.93832 5.48048 8.44903 7.31982 7.05402 numMergedOcc 0
23 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 8.13395 6.20293 8.60739 7.05402 10.0649 7.31982 5.48048 numMergedOcc 0
24 mol 43 unq 2 iso 0 dist 6.20293 8.60739 9.06158 8.13395 8.80331 9.93832 5.48048 10.0649 7.31982 7.05402 numMergedOcc 0
25 mol 43 unq 3 iso 0 dist 8.93915 8.60739 11.3891 8.13395 14.7803 9.93832 5.48048 13.5072 7.31982 7.05402 numMergedOcc 0
26 mol 112 unq 0 iso 0 dist 9.60462 7.23962 3.98564 7.03147 11.192 9.00067 6.89221 13.2485 9.74569 5.52645 numMergedOcc 0
27 mol 112 unq 1 iso 0 dist 9.60462 7.23962 3.98564 11.4954 10.9806 9.89499 6.89221 13.2485 9.74569 9.88449 numMergedOcc 0
28 mol 112 unq 2 iso 0 dist 9.60462 7.23962 3.98564 7.05226 7.45389 7.30204 6.89221 13.2485 9.74569 9.96887 numMergedOcc 0
29 mol 112 unq 3 iso 0 dist 7.45389 7.30204 3.98564 7.05226 9.60462 7.23962 9.96887 13.2485 9.74569 6.89221 numMergedOcc 0
30 mol 112 unq 4 iso 0 dist 7.45389 7.30204 3.98564 5.56241 11.192 9.00067 9.96887 13.2485 9.74569 5.52645 numMergedOcc 0
31 mol 112 unq 5 iso 0 dist 7.45389 7.30204 3.98564 6.77737 10.9806 9.89499 9.96887 13.2485 9.74569 9.88449 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 4.85907 10.3704 7.99857 3.78311 7.77116 8.03035 4.99056 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 4.99056 13.1741 8.03035 3.78311 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 7.58238 14.2958 9.15431 11.5688 16.4092 7.76594 7.21005 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 11.5688 16.4092 7.76594 15.7796 numMergedOcc 0
36 mol 131 unq 2 iso 0 dist 6.85062 9.29384 9.32969 13.2572 14.2958 9.15431 15.7796 16.4092 7.76594 7.21005 numMergedOcc 0
37 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 6.63273 7.12972 6.92648 15.7796 16.4092 7.76594 11.5688 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 7.65448 10.399 9.77552 5.59336 8.35555 6.39031 7.2238 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 7.65448 6.70283 8.28642 7.2238 10.4911 6.39031 5.59336 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 6.70283 8.28642 9.35627 7.65448 8.56324 9.77552 5.59336 10.4911 6.39031 7.2238 numMergedOcc 0
41 mol 152 unq 3 iso 0 dist 8.67331 8.28642 11.2078 7.65448 14.1618 9.77552 5.59336 13.0858 6.39031 7.2238 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 8.34702 6.2319 5.82636 7.14831 13.584 9.31851 5.71107 7.73169 4.9941 10.7975 numMergedOcc 0
43 mol 156 unq 1 iso 0 dist 8.34702 6.2319 5.82636 7.14831 13.584 9.31851 10.7023 5.38091 8.06913 13.6634 numMergedOcc 0
44 mol 156 unq 2 iso 0 dist 8.34702 6.2319 5.82636 6.31306 9.06726 9.97732 5.71107 7.73169 4.9941 11.2067 numMergedOcc 0
45 mol 156 unq 3 iso 0 dist 8.34702 6.2319 5.82636 6.31306 9.06726 9.97732 10.7023 5.38091 8.06913 9.00862 numMergedOcc 0
46 mol 156 unq 4 iso 0 dist 9.06726 9.97732 5.82636 9.98789 13.584 9.31851 11.2067 7.73169 4.9941 10.7975 numMergedOcc 0
47 mol 156 unq 5 iso 0 dist 9.06726 9.97732 5.82636 9.98789 13.584 9.31851 9.00862 5.38091 8.06913 13.6634 numMergedOcc 0
48 mol 156 unq 6 iso 0 dist 9.06726 9.97732 5.82636 6.31306 8.34702 6.2319 11.2067 7.73169 4.9941 5.71107 numMergedOcc 0
49 mol 156 unq 7 iso 0 dist 9.06726 9.97732 5.82636 6.31306 8.34702 6.2319 9.00862 5.38091 8.06913 10.7023 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 5.74635 8.87694 6.85302 12.7155 15.9107 7.55358 9.97575 numMergedOcc 0
51 mol 186 unq 1 iso 0 dist 7.54065 7.20574 8.90184 5.74635 8.87694 6.85302 11.2142 15.8402 8.87818 7.92653 numMergedOcc 0
52 mol 186 unq 2 iso 0 dist 8.87694 6.85302 8.90184 5.74635 7.54065 7.20574 9.97575 15.9107 7.55358 12.7155 numMergedOcc 0
53 mol 186 unq 3 iso 0 dist 8.87694 6.85302 8.90184 5.74635 7.54065 7.20574 7.92653 15.8402 8.87818 11.2142 numMergedOcc 0
54 mol 186 unq 4 iso 0 dist 9.09754 8.64409 9.97575 8.04815 15.6447 9.56197 4.37002 6.85302 7.55358 9.27818 numMergedOcc 0
55 mol 186 unq 5 iso 0 dist 9.09754 8.64409 9.97575 8.04815 15.6447 9.56197 4.64235 9.98215 7.60991 9.55926 numMergedOcc 0
56 mol 186 unq 6 iso 0 dist 9.09754 8.64409 9.97575 13.684 16.9992 7.24795 4.37002 6.85302 7.55358 13.0197 numMergedOcc 0
57 mol 186 unq 7 iso 0 dist 9.09754 8.64409 9.97575 13.684 16.9992 7.24795 4.64235 9.98215 7.60991 12.9082 numMergedOcc 0
58 mol 186 unq 8 iso 0 dist 9.09754 8.64409 9.97575 7.18269 14.1487 7.60202 4.37002 6.85302 7.55358 9.72941 numMergedOcc 0
59 mol 186 unq 9 iso 0 dist 9.09754 8.64409 9.97575 7.18269 14.1487 7.60202 4.64235 9.98215 7.60991 5.39885 numMergedOcc 0
60 mol 186 unq 10 iso 0 dist 9.09754 6.85302 4.37002 5.74635 10.7914 7.20574 9.97575 8.64409 7.55358 12.7155 numMergedOcc 0
61 mol 186 unq 11 iso 0 dist 9.09754 6.85302 4.37002 5.74635 10.7914 7.20574 7.92653 11.1051 8.87818 11.2142 numMergedOcc 0
62 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.22356 8.65997 5.4694 10.5813 8.03442 9.56257 7.22396 numMergedOcc 0
63 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 5.22356 7.22101 8.38865 7.22396 8.03442 9.56257 10.5813 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 10.5813 12.2278 9.56257 7.22396 numMergedOcc 0
65 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 10.0191 13.5431 6.66971 10.7551 11.2809 9.89583 10.7508 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 5.72887 7.32982 12.3808 10.1648 12.8711 6.4398 10.7551 11.2809 9.89583 5.87253 numMergedOcc 0
67 mol 252 unq 0 iso 0 dist 8.1148 6.53679 11.056 6.0987 8.33025 7.50201 6.28227 12.322 8.55481 5.25252 numMergedOcc 0
68 mol 252 unq 1 iso 0 dist 8.1715 6.53679 5.23748 6.0987 9.2288 7.50201 6.28227 12.2615 8.55481 5.25252 numMergedOcc 0
69 mol 252 unq 2 iso 0 dist 8.33025 7.50201 11.056 6.0987 8.1148 6.53679 5.25252 12.322 8.55481 6.28227 numMergedOcc 0
70 mol 252 unq 3 iso 0 dist 9.2288 7.50201 5.23748 6.0987 8.1715 6.53679 5.25252 12.2615 8.55481 6.28227 numMergedOcc 0
71 mol 252 unq 4 iso 0 dist 7.19638 7.50201 7.63376 6.0987 10.5136 6.53679 5.25252 6.86945 8.55481 6.28227 numMergedOcc 0
72 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 7.26417 6.42289 7.99477 6.6525 9.53063 6.47194 5.27959 numMergedOcc 0
73 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 7.26417 6.60405 6.70815 5.27959 9.53063 6.47194 6.6525 numMergedOcc 0
74 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 4.92077 13.4025 6.04162 9.37297 15.2775 5.74568 6.84156 numMergedOcc 0
