0 mol 11 unq 0 iso 0 dist 7.98326 7.46578 8.00765 6.76736 9.81983 13.0898 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.90478 7.16561 8.00765 13.5186 9.81983 13.0898 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.92714 5.76024 5.25297 6.55567 9.8142 10.7969 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 7.92714 8.47217 11.9461 6.55567 9.8142 14.2557 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 7.92012 7.25951 7.31113 6.43075 5.16502 10.1852 numMergedOcc 0
5 mol 17 unq 1 iso 0 dist 7.92012 7.25951 7.31113 11.3153 8.26398 12.7769 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 5.95834 8.00171 10.3279 4.11146 5.9372 10.0586 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 5.95834 8.00171 10.3279 7.83331 8.17583 15.0318 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 5.95834 4.2121 4.15946 4.11146 5.9372 6.93597 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 5.95834 4.2121 4.15946 7.83331 8.17583 10.156 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 5.95834 6.72323 9.92026 4.11146 5.9372 10.716 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 5.95834 6.72323 9.92026 7.83331 8.17583 13.066 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 4.2121 5.95834 4.15946 6.22954 7.03544 9.34593 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 4.2121 5.95834 4.15946 4.11146 6.93597 5.9372 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 4.2121 8.00171 7.88693 6.22954 7.03544 12.7273 numMergedOcc 0
15 mol 24 unq 9 iso 0 dist 4.2121 8.00171 7.88693 4.11146 6.93597 10.0586 numMergedOcc 0
16 mol 24 unq 10 iso 0 dist 4.2121 6.72323 6.16544 6.22954 7.03544 4.30252 numMergedOcc 0
17 mol 24 unq 11 iso 0 dist 4.2121 6.72323 6.16544 4.11146 6.93597 10.716 numMergedOcc 0
18 mol 24 unq 12 iso 0 dist 6.72323 5.95834 9.92026 12.2839 7.85986 14.3213 numMergedOcc 0
19 mol 24 unq 13 iso 0 dist 6.72323 5.95834 9.92026 6.22954 4.30252 9.34593 numMergedOcc 0
20 mol 24 unq 14 iso 0 dist 6.72323 4.2121 6.16544 12.2839 7.85986 12.1223 numMergedOcc 0
21 mol 24 unq 15 iso 0 dist 6.72323 4.2121 6.16544 6.22954 4.30252 7.03544 numMergedOcc 0
22 mol 24 unq 16 iso 0 dist 6.72323 8.00171 10.2653 12.2839 7.85986 17.9863 numMergedOcc 0
23 mol 24 unq 17 iso 0 dist 6.72323 8.00171 10.2653 6.22954 4.30252 12.7273 numMergedOcc 0
24 mol 53 unq 0 iso 0 dist 8.94227 8.81982 4.45406 10.4706 8.19958 12.2277 numMergedOcc 0
25 mol 79 unq 0 iso 0 dist 9.78384 8.87742 14.8479 5.84075 6.86517 14.0221 numMergedOcc 0
26 mol 79 unq 1 iso 0 dist 9.78384 4.93468 8.25967 5.84075 6.86517 8.33791 numMergedOcc 0
27 mol 79 unq 2 iso 0 dist 8.03296 9.26979 7.21092 8.85563 9.99805 8.2992 numMergedOcc 0
28 mol 79 unq 3 iso 0 dist 8.03296 9.26979 7.21092 4.37918 8.84225 6.72546 numMergedOcc 0
29 mol 79 unq 4 iso 0 dist 8.03296 5.82754 6.70789 6.07693 6.2576 8.96069 numMergedOcc 0
30 mol 79 unq 5 iso 0 dist 8.03296 8.87742 7.7277 6.07693 6.2576 7.56495 numMergedOcc 0
31 mol 79 unq 6 iso 0 dist 5.82754 9.05679 7.21092 6.01885 9.99805 8.2992 numMergedOcc 0
32 mol 79 unq 7 iso 0 dist 5.82754 9.05679 7.21092 9.08423 8.84225 6.72546 numMergedOcc 0
33 mol 79 unq 8 iso 0 dist 5.82754 8.03296 6.70789 6.07693 8.96069 6.2576 numMergedOcc 0
34 mol 79 unq 9 iso 0 dist 5.82754 8.87742 7.2005 6.07693 8.96069 7.56495 numMergedOcc 0
35 mol 79 unq 10 iso 0 dist 8.87742 9.78384 14.8479 3.94192 9.99805 12.1881 numMergedOcc 0
36 mol 79 unq 11 iso 0 dist 8.87742 9.78384 14.8479 6.29733 8.84225 13.6707 numMergedOcc 0
37 mol 79 unq 12 iso 0 dist 8.87742 4.93468 7.21092 3.94192 9.99805 8.2992 numMergedOcc 0
38 mol 79 unq 13 iso 0 dist 8.87742 4.93468 7.21092 6.29733 8.84225 6.72546 numMergedOcc 0
39 mol 79 unq 14 iso 0 dist 8.87742 8.03296 7.7277 6.07693 7.56495 6.2576 numMergedOcc 0
40 mol 79 unq 15 iso 0 dist 8.87742 8.03296 7.7277 10.8556 7.63923 9.11841 numMergedOcc 0
41 mol 79 unq 16 iso 0 dist 8.87742 8.03296 7.7277 6.94036 8.23095 12.0111 numMergedOcc 0
42 mol 79 unq 17 iso 0 dist 8.87742 5.82754 7.2005 6.07693 7.56495 8.96069 numMergedOcc 0
43 mol 79 unq 18 iso 0 dist 8.87742 5.82754 7.2005 10.8556 7.63923 12.5055 numMergedOcc 0
44 mol 79 unq 19 iso 0 dist 8.87742 5.82754 7.2005 6.94036 8.23095 10.3733 numMergedOcc 0
45 mol 79 unq 20 iso 0 dist 9.26979 8.03296 7.21092 13.333 8.33791 14.0221 numMergedOcc 0
46 mol 79 unq 21 iso 0 dist 9.26979 8.03296 7.21092 10.3746 7.38548 13.2872 numMergedOcc 0
47 mol 79 unq 22 iso 0 dist 9.26979 8.03296 7.21092 8.85563 8.2992 9.99805 numMergedOcc 0
48 mol 79 unq 23 iso 0 dist 9.26979 8.03296 7.21092 4.37918 6.72546 8.84225 numMergedOcc 0
49 mol 79 unq 24 iso 0 dist 9.26979 9.05679 6.70789 5.25584 6.2576 8.96069 numMergedOcc 0
50 mol 79 unq 25 iso 0 dist 9.26979 4.93468 7.7277 5.25584 6.2576 7.56495 numMergedOcc 0
51 mol 79 unq 26 iso 0 dist 9.05679 5.82754 7.21092 12.313 8.33791 14.0221 numMergedOcc 0
52 mol 79 unq 27 iso 0 dist 9.05679 5.82754 7.21092 12.3366 7.38548 13.2872 numMergedOcc 0
53 mol 79 unq 28 iso 0 dist 9.05679 5.82754 7.21092 6.01885 8.2992 9.99805 numMergedOcc 0
54 mol 79 unq 29 iso 0 dist 9.05679 5.82754 7.21092 9.08423 6.72546 8.84225 numMergedOcc 0
55 mol 79 unq 30 iso 0 dist 9.05679 9.26979 6.70789 5.25584 8.96069 6.2576 numMergedOcc 0
56 mol 79 unq 31 iso 0 dist 9.05679 4.93468 7.2005 5.25584 8.96069 7.56495 numMergedOcc 0
57 mol 79 unq 32 iso 0 dist 4.93468 9.78384 8.25967 5.84075 8.33791 6.86517 numMergedOcc 0
58 mol 79 unq 33 iso 0 dist 4.93468 9.78384 8.25967 5.41884 7.38548 9.21098 numMergedOcc 0
59 mol 79 unq 34 iso 0 dist 4.93468 9.78384 8.25967 3.94192 8.2992 12.1881 numMergedOcc 0
60 mol 79 unq 35 iso 0 dist 4.93468 9.78384 8.25967 6.29733 6.72546 13.6707 numMergedOcc 0
61 mol 79 unq 36 iso 0 dist 4.93468 8.87742 7.21092 5.84075 8.33791 14.0221 numMergedOcc 0
62 mol 79 unq 37 iso 0 dist 4.93468 8.87742 7.21092 5.41884 7.38548 13.2872 numMergedOcc 0
63 mol 79 unq 38 iso 0 dist 4.93468 8.87742 7.21092 3.94192 8.2992 9.99805 numMergedOcc 0
64 mol 79 unq 39 iso 0 dist 4.93468 8.87742 7.21092 6.29733 6.72546 8.84225 numMergedOcc 0
65 mol 79 unq 40 iso 0 dist 4.93468 9.26979 7.7277 5.25584 7.56495 6.2576 numMergedOcc 0
66 mol 79 unq 41 iso 0 dist 4.93468 9.26979 7.7277 5.79629 7.63923 9.11841 numMergedOcc 0
67 mol 79 unq 42 iso 0 dist 4.93468 9.26979 7.7277 3.90527 8.23095 12.0111 numMergedOcc 0
68 mol 79 unq 43 iso 0 dist 4.93468 9.05679 7.2005 5.25584 7.56495 8.96069 numMergedOcc 0
69 mol 79 unq 44 iso 0 dist 4.93468 9.05679 7.2005 5.79629 7.63923 12.5055 numMergedOcc 0
70 mol 79 unq 45 iso 0 dist 4.93468 9.05679 7.2005 3.90527 8.23095 10.3733 numMergedOcc 0
71 mol 92 unq 0 iso 0 dist 5.50508 6.77241 6.2185 9.18008 8.4219 14.0552 numMergedOcc 0
72 mol 92 unq 1 iso 0 dist 9.60622 9.91054 5.74171 7.08542 8.43964 10.7471 numMergedOcc 0
73 mol 93 unq 0 iso 0 dist 8.74378 8.89417 4.37353 5.90646 5.56839 7.83506 numMergedOcc 0
74 mol 93 unq 1 iso 0 dist 8.89417 8.74378 4.37353 5.90646 7.83506 5.56839 numMergedOcc 0
75 mol 141 unq 0 iso 0 dist 9.83945 6.75376 6.33946 13.8739 4.92382 8.38715 numMergedOcc 0
76 mol 141 unq 1 iso 0 dist 9.83945 9.10042 12.8394 13.8739 4.92382 13.9606 numMergedOcc 0
77 mol 141 unq 2 iso 0 dist 6.75376 9.83945 6.33946 5.59893 8.40695 11.063 numMergedOcc 0
78 mol 141 unq 3 iso 0 dist 6.75376 9.83945 6.33946 3.89483 9.35867 13.4387 numMergedOcc 0
79 mol 141 unq 4 iso 0 dist 6.75376 9.10042 6.59975 5.59893 8.40695 11.1674 numMergedOcc 0
80 mol 141 unq 5 iso 0 dist 6.75376 9.10042 6.59975 3.89483 9.35867 9.38036 numMergedOcc 0
81 mol 141 unq 6 iso 0 dist 9.10042 9.83945 12.8394 3.89483 9.38036 13.4387 numMergedOcc 0
82 mol 141 unq 7 iso 0 dist 9.10042 6.75376 6.59975 3.89483 9.38036 9.35867 numMergedOcc 0
83 mol 141 unq 8 iso 0 dist 9.10042 9.75059 4.72386 9.98068 9.59109 13.5458 numMergedOcc 0
84 mol 141 unq 9 iso 0 dist 9.10042 6.83404 13.0212 9.98068 9.59109 15.8537 numMergedOcc 0
85 mol 194 unq 0 iso 0 dist 6.1886 6.38324 9.4131 13.0087 8.43182 17.7356 numMergedOcc 0
86 mol 196 unq 0 iso 0 dist 7.21349 9.62455 15.4429 5.7225 6.14222 15.3132 numMergedOcc 0
87 mol 256 unq 0 iso 0 dist 4.98734 6.37963 4.56465 3.70808 6.63831 8.08629 numMergedOcc 0
88 mol 256 unq 1 iso 0 dist 4.98734 6.37963 4.56465 7.27053 9.23909 9.66515 numMergedOcc 0
89 mol 256 unq 2 iso 0 dist 4.98734 8.16803 8.02729 3.70808 6.63831 9.03979 numMergedOcc 0
90 mol 256 unq 3 iso 0 dist 4.98734 8.16803 8.02729 7.27053 9.23909 10.8954 numMergedOcc 0
91 mol 256 unq 4 iso 0 dist 6.37963 4.98734 4.56465 3.70808 8.08629 6.63831 numMergedOcc 0
92 mol 256 unq 5 iso 0 dist 6.37963 8.16803 12.3316 3.70808 8.08629 9.03979 numMergedOcc 0
93 mol 256 unq 6 iso 0 dist 8.16803 4.98734 8.02729 3.70808 9.03979 6.63831 numMergedOcc 0
94 mol 256 unq 7 iso 0 dist 8.16803 6.37963 12.3316 3.70808 9.03979 8.08629 numMergedOcc 0
95 mol 256 unq 8 iso 0 dist 6.33496 6.00636 4.56465 10.03 6.63831 8.08629 numMergedOcc 0
96 mol 256 unq 9 iso 0 dist 6.33496 6.00636 4.56465 4.26681 9.23909 9.66515 numMergedOcc 0
97 mol 256 unq 10 iso 0 dist 6.33496 7.81448 9.60398 10.03 6.63831 15.0756 numMergedOcc 0
98 mol 256 unq 11 iso 0 dist 6.33496 7.81448 9.60398 4.26681 9.23909 9.16597 numMergedOcc 0
99 mol 256 unq 12 iso 0 dist 6.33496 8.54499 7.37964 10.03 6.63831 12.417 numMergedOcc 0
100 mol 256 unq 13 iso 0 dist 6.33496 8.54499 7.37964 4.26681 9.23909 9.90798 numMergedOcc 0
101 mol 256 unq 14 iso 0 dist 6.00636 6.33496 4.56465 10.03 8.08629 6.63831 numMergedOcc 0
102 mol 256 unq 15 iso 0 dist 6.00636 7.81448 11.7084 10.03 8.08629 15.0756 numMergedOcc 0
103 mol 256 unq 16 iso 0 dist 6.00636 8.54499 10.9861 10.03 8.08629 12.417 numMergedOcc 0
104 mol 256 unq 17 iso 0 dist 7.81448 6.33496 9.60398 4.26681 9.16597 9.23909 numMergedOcc 0
105 mol 256 unq 18 iso 0 dist 7.81448 6.00636 11.7084 4.26681 9.16597 9.66515 numMergedOcc 0
106 mol 256 unq 19 iso 0 dist 7.81448 8.54499 4.46458 4.26681 9.16597 9.90798 numMergedOcc 0
107 mol 280 unq 0 iso 0 dist 6.73712 9.35704 10.2665 8.71368 9.47429 13.4909 numMergedOcc 0
