0 mol 10 unq 0 iso 0 dist 5.59965 9.43029 4.99208 7.8329 9.76721 9.80612 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.95834 9.73647 12.5545 5.9372 4.11146 13.9367 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.95834 9.73647 12.5545 8.17583 7.83331 13.1947 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.95834 7.26334 4.08755 5.9372 4.11146 5.95865 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.95834 7.26334 4.08755 8.17583 7.83331 6.61332 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 5.95834 5.78532 6.86136 5.9372 4.11146 3.33439 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 5.95834 5.78532 6.86136 8.17583 7.83331 3.64811 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 4.2121 6.19899 4.08755 7.03544 6.22954 3.53396 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 4.2121 6.19899 4.08755 6.93597 4.11146 5.95865 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 4.2121 8.49709 6.86136 7.03544 6.22954 10.8745 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 4.2121 8.49709 6.86136 6.93597 4.11146 3.33439 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 6.72323 6.61696 4.08755 7.85986 12.2839 9.24731 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 6.72323 6.61696 4.08755 4.30252 6.22954 3.53396 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 6.72323 5.80953 10.0453 7.85986 12.2839 11.1587 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 6.72323 5.80953 10.0453 4.30252 6.22954 8.72577 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 7.35861 9.36924 6.88067 9.82851 12.335 15.8256 numMergedOcc 0
16 mol 26 unq 1 iso 0 dist 6.56527 6.7142 10.0347 9.11311 12.5394 7.78809 numMergedOcc 0
17 mol 48 unq 0 iso 0 dist 8.29857 6.03404 9.02536 8.12997 12.4707 7.01802 numMergedOcc 0
18 mol 48 unq 1 iso 0 dist 8.29857 6.03404 9.02536 6.13153 8.98812 6.13982 numMergedOcc 0
19 mol 48 unq 2 iso 0 dist 8.29857 6.03404 9.02536 5.7836 3.50984 6.71583 numMergedOcc 0
20 mol 48 unq 3 iso 0 dist 8.29857 6.03404 9.02536 7.32996 11.7253 3.34853 numMergedOcc 0
21 mol 48 unq 4 iso 0 dist 8.29857 6.03404 9.02536 5.89173 12.69 5.12352 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 8.19993 6.07052 9.12073 7.84895 12.5401 7.14332 numMergedOcc 0
23 mol 48 unq 6 iso 0 dist 8.19993 6.07052 9.12073 5.8541 9.01489 6.15265 numMergedOcc 0
24 mol 48 unq 7 iso 0 dist 8.19993 6.07052 9.12073 5.82264 3.65036 6.77378 numMergedOcc 0
25 mol 48 unq 8 iso 0 dist 8.19993 6.07052 9.12073 7.20729 11.7978 3.3785 numMergedOcc 0
26 mol 48 unq 9 iso 0 dist 8.19993 6.07052 9.12073 5.72703 12.5721 5.14028 numMergedOcc 0
27 mol 55 unq 0 iso 0 dist 9.93096 8.70598 10.7467 6.76315 3.56023 8.04215 numMergedOcc 0
28 mol 79 unq 0 iso 0 dist 9.78384 9.77084 3.99035 7.56495 13.2204 11.5615 numMergedOcc 0
29 mol 79 unq 1 iso 0 dist 9.78384 9.77084 3.99035 7.63923 10.8598 10.6375 numMergedOcc 0
30 mol 79 unq 2 iso 0 dist 9.78384 9.77084 3.99035 8.23095 8.81685 5.57609 numMergedOcc 0
31 mol 79 unq 3 iso 0 dist 9.78384 6.5551 4.53016 7.56495 13.2204 10.2908 numMergedOcc 0
32 mol 79 unq 4 iso 0 dist 9.78384 6.5551 4.53016 7.63923 10.8598 7.19532 numMergedOcc 0
33 mol 79 unq 5 iso 0 dist 9.78384 6.5551 4.53016 8.23095 8.81685 8.58888 numMergedOcc 0
34 mol 79 unq 6 iso 0 dist 9.78384 7.43127 9.51372 6.86517 5.84075 5.9297 numMergedOcc 0
35 mol 79 unq 7 iso 0 dist 8.03296 8.02443 3.81317 9.99805 8.85563 5.60343 numMergedOcc 0
36 mol 79 unq 8 iso 0 dist 8.03296 8.02443 3.81317 8.84225 4.37918 6.49084 numMergedOcc 0
37 mol 79 unq 9 iso 0 dist 5.82754 8.02443 4.08868 9.99805 6.01885 5.60343 numMergedOcc 0
38 mol 79 unq 10 iso 0 dist 5.82754 8.02443 4.08868 8.84225 9.08423 6.49084 numMergedOcc 0
39 mol 79 unq 11 iso 0 dist 8.87742 9.77084 12.2375 7.56495 6.07693 11.5615 numMergedOcc 0
40 mol 79 unq 12 iso 0 dist 8.87742 9.77084 12.2375 7.63923 10.8556 10.6375 numMergedOcc 0
41 mol 79 unq 13 iso 0 dist 8.87742 9.77084 12.2375 8.23095 6.94036 5.57609 numMergedOcc 0
42 mol 79 unq 14 iso 0 dist 8.87742 6.5551 13.1414 7.56495 6.07693 10.2908 numMergedOcc 0
43 mol 79 unq 15 iso 0 dist 8.87742 6.5551 13.1414 7.63923 10.8556 7.19532 numMergedOcc 0
44 mol 79 unq 16 iso 0 dist 8.87742 6.5551 13.1414 8.23095 6.94036 8.58888 numMergedOcc 0
45 mol 79 unq 17 iso 0 dist 8.87742 8.02443 6.06691 9.99805 3.94192 5.60343 numMergedOcc 0
46 mol 79 unq 18 iso 0 dist 8.87742 8.02443 6.06691 8.84225 6.29733 6.49084 numMergedOcc 0
47 mol 79 unq 19 iso 0 dist 9.26979 9.09458 3.81317 8.33791 13.333 11.4347 numMergedOcc 0
48 mol 79 unq 20 iso 0 dist 9.26979 9.09458 3.81317 7.38548 10.3746 10.0358 numMergedOcc 0
49 mol 79 unq 21 iso 0 dist 9.26979 9.09458 3.81317 8.2992 8.85563 5.60343 numMergedOcc 0
50 mol 79 unq 22 iso 0 dist 9.26979 9.09458 3.81317 6.72546 4.37918 6.49084 numMergedOcc 0
51 mol 79 unq 23 iso 0 dist 9.05679 9.09458 4.08868 8.33791 12.313 11.4347 numMergedOcc 0
52 mol 79 unq 24 iso 0 dist 9.05679 9.09458 4.08868 7.38548 12.3366 10.0358 numMergedOcc 0
53 mol 79 unq 25 iso 0 dist 9.05679 9.09458 4.08868 8.2992 6.01885 5.60343 numMergedOcc 0
54 mol 79 unq 26 iso 0 dist 9.05679 9.09458 4.08868 6.72546 9.08423 6.49084 numMergedOcc 0
55 mol 79 unq 27 iso 0 dist 4.93468 9.77084 6.69352 7.56495 5.25584 11.5615 numMergedOcc 0
56 mol 79 unq 28 iso 0 dist 4.93468 9.77084 6.69352 7.63923 5.79629 10.6375 numMergedOcc 0
57 mol 79 unq 29 iso 0 dist 4.93468 9.77084 6.69352 8.23095 3.90527 5.57609 numMergedOcc 0
58 mol 79 unq 30 iso 0 dist 4.93468 6.5551 6.0749 7.56495 5.25584 10.2908 numMergedOcc 0
59 mol 79 unq 31 iso 0 dist 4.93468 6.5551 6.0749 7.63923 5.79629 7.19532 numMergedOcc 0
60 mol 79 unq 32 iso 0 dist 4.93468 6.5551 6.0749 8.23095 3.90527 8.58888 numMergedOcc 0
61 mol 79 unq 33 iso 0 dist 4.93468 9.09458 6.06691 8.33791 5.84075 11.4347 numMergedOcc 0
62 mol 79 unq 34 iso 0 dist 4.93468 9.09458 6.06691 7.38548 5.41884 10.0358 numMergedOcc 0
63 mol 79 unq 35 iso 0 dist 4.93468 9.09458 6.06691 8.2992 3.94192 5.60343 numMergedOcc 0
64 mol 79 unq 36 iso 0 dist 4.93468 9.09458 6.06691 6.72546 6.29733 6.49084 numMergedOcc 0
65 mol 85 unq 0 iso 0 dist 9.66222 5.05893 11.0952 8.04853 11.3242 3.65186 numMergedOcc 0
66 mol 85 unq 1 iso 0 dist 9.66222 5.05893 11.0952 6.46549 15.4245 5.41777 numMergedOcc 0
67 mol 85 unq 2 iso 0 dist 9.66222 5.71866 12.5181 8.04853 11.3242 7.00044 numMergedOcc 0
68 mol 85 unq 3 iso 0 dist 9.66222 5.71866 12.5181 6.46549 15.4245 5.85247 numMergedOcc 0
69 mol 91 unq 0 iso 0 dist 8.66165 8.77355 10.6223 9.97813 5.21888 9.60912 numMergedOcc 0
70 mol 92 unq 0 iso 0 dist 9.60622 8.98912 11.9597 8.43964 7.08542 7.35325 numMergedOcc 0
71 mol 93 unq 0 iso 0 dist 8.74378 9.19977 11.7638 5.56839 5.90646 13.1331 numMergedOcc 0
72 mol 93 unq 1 iso 0 dist 8.89417 7.28831 11.7638 7.83506 5.90646 13.1331 numMergedOcc 0
73 mol 93 unq 2 iso 0 dist 9.95255 7.28831 5.93472 7.83506 12.949 13.1331 numMergedOcc 0
74 mol 113 unq 0 iso 0 dist 6.6317 9.30645 9.74974 7.40338 13.2601 9.59189 numMergedOcc 0
75 mol 131 unq 0 iso 0 dist 5.87084 7.75314 6.11089 7.84546 4.60864 6.95147 numMergedOcc 0
76 mol 141 unq 0 iso 0 dist 9.83945 7.42144 16.2294 4.92382 13.8739 5.83839 numMergedOcc 0
77 mol 141 unq 1 iso 0 dist 9.83945 6.27658 15.9806 4.92382 13.8739 3.7404 numMergedOcc 0
78 mol 141 unq 2 iso 0 dist 6.75376 9.27009 6.93828 8.40695 5.59893 3.37046 numMergedOcc 0
79 mol 141 unq 3 iso 0 dist 6.75376 9.27009 6.93828 9.35867 3.89483 8.30017 numMergedOcc 0
80 mol 141 unq 4 iso 0 dist 9.10042 6.65731 14.0725 9.38036 3.89483 14.5559 numMergedOcc 0
81 mol 141 unq 5 iso 0 dist 9.75059 6.65731 13.1981 9.38036 4.1436 14.5559 numMergedOcc 0
82 mol 141 unq 6 iso 0 dist 6.83404 6.65731 3.98068 9.38036 12.6017 14.5559 numMergedOcc 0
83 mol 184 unq 0 iso 0 dist 7.54099 7.81263 7.81466 7.02762 4.12242 3.74437 numMergedOcc 0
84 mol 194 unq 0 iso 0 dist 6.1886 4.19371 4.002 8.43182 13.0087 9.23342 numMergedOcc 0
85 mol 194 unq 1 iso 0 dist 6.1886 9.71015 7.09553 8.43182 13.0087 11.7699 numMergedOcc 0
86 mol 232 unq 0 iso 0 dist 9.78181 9.9183 14.876 9.78273 12.3206 3.43286 numMergedOcc 0
87 mol 232 unq 1 iso 0 dist 9.8664 9.9183 11.2243 9.78273 12.159 3.43286 numMergedOcc 0
88 mol 235 unq 0 iso 0 dist 6.94789 7.39085 14.2323 7.26232 3.66752 14.4239 numMergedOcc 0
89 mol 244 unq 0 iso 0 dist 7.95359 6.53416 3.92686 9.30179 8.74744 4.99117 numMergedOcc 0
90 mol 244 unq 1 iso 0 dist 7.95359 6.53416 3.92686 6.10489 5.98501 7.28456 numMergedOcc 0
91 mol 244 unq 2 iso 0 dist 7.95359 6.53416 3.92686 4.4204 5.00596 5.39452 numMergedOcc 0
92 mol 244 unq 3 iso 0 dist 6.22122 6.53416 10.3324 9.30179 13.2473 4.99117 numMergedOcc 0
93 mol 244 unq 4 iso 0 dist 6.22122 6.53416 10.3324 6.10489 10.1665 7.28456 numMergedOcc 0
94 mol 244 unq 5 iso 0 dist 6.22122 6.53416 10.3324 4.4204 5.68434 5.39452 numMergedOcc 0
95 mol 260 unq 0 iso 0 dist 9.32954 6.75725 9.07649 6.49413 4.07425 8.04546 numMergedOcc 0
96 mol 260 unq 1 iso 0 dist 9.32954 6.75725 9.07649 6.12343 9.82931 8.22506 numMergedOcc 0
97 mol 260 unq 2 iso 0 dist 9.32954 6.75725 9.07649 4.52405 9.36278 3.68866 numMergedOcc 0
98 mol 260 unq 3 iso 0 dist 9.32954 9.31888 9.46408 6.49413 4.07425 7.35802 numMergedOcc 0
99 mol 260 unq 4 iso 0 dist 9.32954 9.31888 9.46408 6.12343 9.82931 9.94995 numMergedOcc 0
100 mol 260 unq 5 iso 0 dist 9.32954 9.31888 9.46408 4.52405 9.36278 12.8784 numMergedOcc 0
101 mol 273 unq 0 iso 0 dist 7.16346 7.85836 8.43367 9.81919 9.84575 7.37764 numMergedOcc 0
102 mol 273 unq 1 iso 0 dist 7.16346 6.35532 3.78984 9.81919 9.84575 7.04946 numMergedOcc 0
103 mol 274 unq 0 iso 0 dist 6.88827 8.60027 13.3632 8.09181 8.87313 10.6981 numMergedOcc 0
104 mol 274 unq 1 iso 0 dist 9.16942 8.60027 5.39432 8.09181 6.97575 10.6981 numMergedOcc 0
