0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 7.4817 9.12196 7.73435 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.00903 6.09918 7.94662 7.63941 12.0025 5.71995 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.00903 9.12196 7.4817 7.94662 6.09918 7.73435 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 8.79272 11.2076 7.12263 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 6.32152 10.715 5.00267 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 11.0722 8.83269 5.55437 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 10.3648 17.4261 7.69625 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 4.54938 6.92532 5.18512 10.3648 11.6624 7.69625 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 7.82074 6.36455 5.18512 6.49317 11.6624 7.69625 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 6.864 6.92532 9.47529 10.3648 13.8921 7.69625 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 6.58998 10.7114 9.38831 numMergedOcc 0
11 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 11.2106 13.0257 9.40479 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 5.97304 6.60423 9.38831 numMergedOcc 0
13 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 8.38394 6.72502 6.59374 11.2106 15.7639 9.40479 numMergedOcc 0
15 mol 24 unq 5 iso 0 dist 8.38394 6.72502 6.59374 5.97304 9.0934 9.38831 numMergedOcc 0
16 mol 24 unq 6 iso 0 dist 5.54419 4.93188 4.33963 9.48345 11.2485 9.40479 numMergedOcc 0
17 mol 24 unq 7 iso 0 dist 5.54419 4.93188 4.33963 14.4162 11.9933 9.58012 numMergedOcc 0
18 mol 24 unq 8 iso 0 dist 7.36323 9.24958 4.33963 13.1456 11.2485 9.40479 numMergedOcc 0
19 mol 24 unq 9 iso 0 dist 7.36323 9.24958 4.33963 10.0655 11.9933 9.58012 numMergedOcc 0
20 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.48048 8.44903 7.31982 numMergedOcc 0
21 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 5.64171 8.60739 7.31982 numMergedOcc 0
22 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 7.05402 10.0649 7.31982 numMergedOcc 0
23 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 5.48048 10.0649 7.31982 numMergedOcc 0
24 mol 43 unq 4 iso 0 dist 8.93915 8.60739 11.3891 5.48048 13.5072 7.31982 numMergedOcc 0
25 mol 112 unq 0 iso 0 dist 9.60462 7.23962 3.98564 6.89221 13.2485 9.74569 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 7.45389 7.30204 3.98564 9.96887 13.2485 9.74569 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 7.21418 10.0289 8.71286 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 7.21418 10.9766 8.71286 numMergedOcc 0
29 mol 115 unq 2 iso 0 dist 6.11741 5.74857 6.08806 7.3094 10.9734 8.71286 numMergedOcc 0
30 mol 115 unq 3 iso 0 dist 7.88312 5.72642 7.3094 7.21418 5.74857 8.71286 numMergedOcc 0
31 mol 115 unq 4 iso 0 dist 7.88312 5.74857 7.21418 7.3094 5.72642 8.71286 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 3.78311 7.77116 8.03035 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 8.73993 6.37542 6.08167 3.78311 7.77116 7.6968 numMergedOcc 0
34 mol 119 unq 2 iso 0 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 numMergedOcc 0
35 mol 119 unq 3 iso 0 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 numMergedOcc 0
36 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 4.99056 13.1741 8.03035 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 11.5688 16.4092 7.76594 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 15.7796 16.4092 7.76594 numMergedOcc 0
39 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 10.8441 13.4668 5.73236 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 5.59336 8.35555 6.39031 numMergedOcc 0
41 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 7.78913 9.39331 8.60521 numMergedOcc 0
42 mol 152 unq 2 iso 0 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 numMergedOcc 0
43 mol 152 unq 3 iso 0 dist 8.87437 8.35555 10.9728 7.78913 13.5822 8.60521 numMergedOcc 0
44 mol 152 unq 4 iso 0 dist 8.87437 8.35555 10.9728 5.70788 13.1536 6.39031 numMergedOcc 0
45 mol 152 unq 5 iso 0 dist 8.56324 9.77552 9.35627 7.2238 10.4911 6.39031 numMergedOcc 0
46 mol 152 unq 6 iso 0 dist 6.70283 8.28642 9.35627 5.59336 10.4911 6.39031 numMergedOcc 0
47 mol 152 unq 7 iso 0 dist 8.67331 8.28642 11.2078 5.59336 13.0858 6.39031 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 5.82636 6.2319 4.9941 numMergedOcc 0
49 mol 156 unq 1 iso 0 dist 8.34702 5.38091 10.7023 6.44255 9.43259 5.90883 numMergedOcc 0
50 mol 156 unq 2 iso 0 dist 8.34702 5.38091 10.7023 5.82636 6.2319 8.06913 numMergedOcc 0
51 mol 156 unq 3 iso 0 dist 8.34702 9.43259 6.44255 10.7023 5.38091 5.90883 numMergedOcc 0
52 mol 156 unq 4 iso 0 dist 8.34702 6.2319 5.82636 5.71107 7.73169 4.9941 numMergedOcc 0
53 mol 156 unq 5 iso 0 dist 8.34702 6.2319 5.82636 10.7023 5.38091 8.06913 numMergedOcc 0
54 mol 156 unq 6 iso 0 dist 9.06726 7.73169 11.2067 5.82636 9.97732 4.9941 numMergedOcc 0
55 mol 156 unq 7 iso 0 dist 9.06726 5.38091 9.00862 6.44255 11.1392 5.90883 numMergedOcc 0
56 mol 156 unq 8 iso 0 dist 9.06726 5.38091 9.00862 5.82636 9.97732 8.06913 numMergedOcc 0
57 mol 156 unq 9 iso 0 dist 9.06726 9.97732 5.82636 11.2067 7.73169 4.9941 numMergedOcc 0
58 mol 156 unq 10 iso 0 dist 9.06726 9.97732 5.82636 9.00862 5.38091 8.06913 numMergedOcc 0
59 mol 156 unq 11 iso 0 dist 8.33171 7.73169 9.44399 5.82636 10.5243 4.9941 numMergedOcc 0
60 mol 156 unq 12 iso 0 dist 8.33171 5.38091 11.1271 6.44255 12.8935 5.90883 numMergedOcc 0
61 mol 156 unq 13 iso 0 dist 8.33171 5.38091 11.1271 5.82636 10.5243 8.06913 numMergedOcc 0
62 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 4.24624 8.0154 7.32419 numMergedOcc 0
63 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 4.24624 8.0154 8.31961 numMergedOcc 0
64 mol 175 unq 2 iso 0 dist 9.29945 8.0154 4.24624 12.3408 5.4969 7.32419 numMergedOcc 0
65 mol 175 unq 3 iso 0 dist 9.29945 8.0154 4.24624 8.68081 6.4318 8.31961 numMergedOcc 0
66 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 12.7155 15.9107 7.55358 numMergedOcc 0
67 mol 186 unq 1 iso 0 dist 7.54065 7.20574 8.90184 11.2142 15.8402 8.87818 numMergedOcc 0
68 mol 186 unq 2 iso 0 dist 8.87694 6.85302 8.90184 9.97575 15.9107 7.55358 numMergedOcc 0
69 mol 186 unq 3 iso 0 dist 8.87694 6.85302 8.90184 7.92653 15.8402 8.87818 numMergedOcc 0
70 mol 186 unq 4 iso 0 dist 8.87694 9.98215 12.8303 9.97575 15.9107 7.60991 numMergedOcc 0
71 mol 186 unq 5 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 numMergedOcc 0
72 mol 186 unq 6 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 numMergedOcc 0
73 mol 186 unq 7 iso 0 dist 9.09754 6.85302 4.37002 9.97575 8.64409 7.55358 numMergedOcc 0
74 mol 186 unq 8 iso 0 dist 9.09754 6.85302 4.37002 7.92653 11.1051 8.87818 numMergedOcc 0
75 mol 186 unq 9 iso 0 dist 9.09754 9.98215 4.64235 9.97575 8.64409 7.60991 numMergedOcc 0
76 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 11.0628 12.9778 9.56257 numMergedOcc 0
77 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 10.5813 8.03442 9.56257 numMergedOcc 0
78 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 11.0628 8.38865 9.56257 numMergedOcc 0
79 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 7.22396 8.03442 9.56257 numMergedOcc 0
80 mol 227 unq 4 iso 0 dist 8.65997 8.03442 7.22396 11.0628 5.4694 9.56257 numMergedOcc 0
81 mol 227 unq 5 iso 0 dist 7.56888 8.03442 6.10296 11.0628 13.9676 9.56257 numMergedOcc 0
82 mol 227 unq 6 iso 0 dist 7.55216 8.03442 9.69537 11.0628 16.9219 9.56257 numMergedOcc 0
83 mol 227 unq 7 iso 0 dist 7.09863 8.38865 12.9587 10.5813 12.2278 9.56257 numMergedOcc 0
84 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 10.7551 11.2809 9.89583 numMergedOcc 0
85 mol 252 unq 0 iso 0 dist 8.1148 6.53679 11.056 6.28227 12.322 8.55481 numMergedOcc 0
86 mol 252 unq 1 iso 0 dist 8.1715 6.53679 5.23748 6.28227 12.2615 8.55481 numMergedOcc 0
87 mol 252 unq 2 iso 0 dist 8.33025 7.50201 11.056 5.25252 12.322 8.55481 numMergedOcc 0
88 mol 252 unq 3 iso 0 dist 9.2288 7.50201 5.23748 5.25252 12.2615 8.55481 numMergedOcc 0
89 mol 252 unq 4 iso 0 dist 7.19638 6.86945 5.25252 7.63376 7.50201 8.55481 numMergedOcc 0
90 mol 252 unq 5 iso 0 dist 7.19638 7.50201 7.63376 5.25252 6.86945 8.55481 numMergedOcc 0
91 mol 258 unq 0 iso 0 dist 6.60405 9.53063 6.6525 7.42673 6.70815 6.47194 numMergedOcc 0
92 mol 258 unq 1 iso 0 dist 6.60405 6.70815 7.42673 6.6525 9.53063 6.47194 numMergedOcc 0
93 mol 258 unq 2 iso 0 dist 6.42289 9.53063 5.27959 7.42673 7.99477 6.47194 numMergedOcc 0
94 mol 258 unq 3 iso 0 dist 6.42289 7.99477 7.42673 5.27959 9.53063 6.47194 numMergedOcc 0
95 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 9.37297 15.2775 5.74568 numMergedOcc 0
96 mol 294 unq 0 iso 0 dist 8.15665 9.13907 5.25615 12.0308 12.1586 7.41079 numMergedOcc 0
