0 mol 4 unq 0 iso 0 dist 7.35416 6.42755 10.6506 7.15474 7.91149 5.39676 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 6.42755 7.35416 10.6506 7.15474 5.39676 7.91149 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.98326 7.90478 8.05578 9.81983 6.76736 13.5186 numMergedOcc 0
3 mol 11 unq 0 iso 1 dist 7.90478 7.98326 8.05578 9.81983 13.5186 6.76736 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.78384 8.87742 14.8479 7.56495 13.2204 6.07693 numMergedOcc 0
5 mol 79 unq 0 iso 1 dist 8.87742 9.78384 14.8479 7.56495 6.07693 13.2204 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 9.78384 8.87742 14.8479 7.63923 10.8598 10.8556 numMergedOcc 0
7 mol 79 unq 1 iso 1 dist 8.87742 9.78384 14.8479 7.63923 10.8556 10.8598 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 9.78384 8.87742 14.8479 8.23095 8.81685 6.94036 numMergedOcc 0
9 mol 79 unq 2 iso 1 dist 8.87742 9.78384 14.8479 8.23095 6.94036 8.81685 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 9.78384 4.93468 8.25967 7.56495 13.2204 5.25584 numMergedOcc 0
11 mol 79 unq 3 iso 1 dist 4.93468 9.78384 8.25967 7.56495 5.25584 13.2204 numMergedOcc 0
12 mol 79 unq 4 iso 0 dist 9.78384 4.93468 8.25967 7.63923 10.8598 5.79629 numMergedOcc 0
13 mol 79 unq 4 iso 1 dist 4.93468 9.78384 8.25967 7.63923 5.79629 10.8598 numMergedOcc 0
14 mol 79 unq 5 iso 0 dist 9.78384 4.93468 8.25967 8.23095 8.81685 3.90527 numMergedOcc 0
15 mol 79 unq 5 iso 1 dist 4.93468 9.78384 8.25967 8.23095 3.90527 8.81685 numMergedOcc 0
16 mol 79 unq 6 iso 0 dist 8.03296 9.26979 7.21092 6.2576 6.07693 5.25584 numMergedOcc 0
17 mol 79 unq 6 iso 1 dist 9.26979 8.03296 7.21092 6.2576 5.25584 6.07693 numMergedOcc 0
18 mol 79 unq 7 iso 0 dist 8.03296 5.82754 6.70789 9.99805 8.85563 6.01885 numMergedOcc 0
19 mol 79 unq 7 iso 1 dist 5.82754 8.03296 6.70789 9.99805 6.01885 8.85563 numMergedOcc 0
20 mol 79 unq 8 iso 0 dist 8.03296 5.82754 6.70789 8.84225 4.37918 9.08423 numMergedOcc 0
21 mol 79 unq 8 iso 1 dist 5.82754 8.03296 6.70789 8.84225 9.08423 4.37918 numMergedOcc 0
22 mol 79 unq 9 iso 0 dist 8.03296 8.87742 7.7277 9.99805 8.85563 3.94192 numMergedOcc 0
23 mol 79 unq 9 iso 1 dist 8.87742 8.03296 7.7277 9.99805 3.94192 8.85563 numMergedOcc 0
24 mol 79 unq 10 iso 0 dist 8.03296 8.87742 7.7277 8.84225 4.37918 6.29733 numMergedOcc 0
25 mol 79 unq 10 iso 1 dist 8.87742 8.03296 7.7277 8.84225 6.29733 4.37918 numMergedOcc 0
26 mol 79 unq 11 iso 0 dist 5.82754 9.05679 7.21092 8.96069 6.07693 5.25584 numMergedOcc 0
27 mol 79 unq 11 iso 1 dist 9.05679 5.82754 7.21092 8.96069 5.25584 6.07693 numMergedOcc 0
28 mol 79 unq 9 iso 0 dist 5.82754 8.87742 7.2005 9.99805 6.01885 3.94192 numMergedOcc 0
29 mol 79 unq 9 iso 1 dist 8.87742 5.82754 7.2005 9.99805 3.94192 6.01885 numMergedOcc 0
30 mol 79 unq 10 iso 0 dist 5.82754 8.87742 7.2005 8.84225 9.08423 6.29733 numMergedOcc 0
31 mol 79 unq 10 iso 1 dist 8.87742 5.82754 7.2005 8.84225 6.29733 9.08423 numMergedOcc 0
32 mol 79 unq 3 iso 0 dist 8.87742 4.93468 7.21092 7.56495 6.07693 5.25584 numMergedOcc 0
33 mol 79 unq 3 iso 1 dist 4.93468 8.87742 7.21092 7.56495 5.25584 6.07693 numMergedOcc 0
34 mol 79 unq 4 iso 0 dist 8.87742 4.93468 7.21092 7.63923 10.8556 5.79629 numMergedOcc 0
35 mol 79 unq 4 iso 1 dist 4.93468 8.87742 7.21092 7.63923 5.79629 10.8556 numMergedOcc 0
36 mol 79 unq 5 iso 0 dist 8.87742 4.93468 7.21092 8.23095 6.94036 3.90527 numMergedOcc 0
37 mol 79 unq 5 iso 1 dist 4.93468 8.87742 7.21092 8.23095 3.90527 6.94036 numMergedOcc 0
38 mol 79 unq 7 iso 0 dist 9.26979 9.05679 6.70789 8.33791 13.333 12.313 numMergedOcc 0
39 mol 79 unq 7 iso 1 dist 9.05679 9.26979 6.70789 8.33791 12.313 13.333 numMergedOcc 0
40 mol 79 unq 8 iso 0 dist 9.26979 9.05679 6.70789 7.38548 10.3746 12.3366 numMergedOcc 0
41 mol 79 unq 8 iso 1 dist 9.05679 9.26979 6.70789 7.38548 12.3366 10.3746 numMergedOcc 0
42 mol 79 unq 9 iso 0 dist 9.26979 9.05679 6.70789 8.2992 8.85563 6.01885 numMergedOcc 0
43 mol 79 unq 9 iso 1 dist 9.05679 9.26979 6.70789 8.2992 6.01885 8.85563 numMergedOcc 0
44 mol 79 unq 10 iso 0 dist 9.26979 9.05679 6.70789 6.72546 4.37918 9.08423 numMergedOcc 0
45 mol 79 unq 10 iso 1 dist 9.05679 9.26979 6.70789 6.72546 9.08423 4.37918 numMergedOcc 0
46 mol 79 unq 11 iso 0 dist 9.26979 4.93468 7.7277 8.33791 13.333 5.84075 numMergedOcc 0
47 mol 79 unq 11 iso 1 dist 4.93468 9.26979 7.7277 8.33791 5.84075 13.333 numMergedOcc 0
48 mol 79 unq 12 iso 0 dist 9.26979 4.93468 7.7277 7.38548 10.3746 5.41884 numMergedOcc 0
49 mol 79 unq 12 iso 1 dist 4.93468 9.26979 7.7277 7.38548 5.41884 10.3746 numMergedOcc 0
50 mol 79 unq 13 iso 0 dist 9.26979 4.93468 7.7277 8.2992 8.85563 3.94192 numMergedOcc 0
51 mol 79 unq 13 iso 1 dist 4.93468 9.26979 7.7277 8.2992 3.94192 8.85563 numMergedOcc 0
52 mol 79 unq 14 iso 0 dist 9.26979 4.93468 7.7277 6.72546 4.37918 6.29733 numMergedOcc 0
53 mol 79 unq 14 iso 1 dist 4.93468 9.26979 7.7277 6.72546 6.29733 4.37918 numMergedOcc 0
54 mol 79 unq 11 iso 0 dist 9.05679 4.93468 7.2005 8.33791 12.313 5.84075 numMergedOcc 0
55 mol 79 unq 11 iso 1 dist 4.93468 9.05679 7.2005 8.33791 5.84075 12.313 numMergedOcc 0
56 mol 79 unq 12 iso 0 dist 9.05679 4.93468 7.2005 7.38548 12.3366 5.41884 numMergedOcc 0
57 mol 79 unq 12 iso 1 dist 4.93468 9.05679 7.2005 7.38548 5.41884 12.3366 numMergedOcc 0
58 mol 79 unq 13 iso 0 dist 9.05679 4.93468 7.2005 8.2992 6.01885 3.94192 numMergedOcc 0
59 mol 79 unq 13 iso 1 dist 4.93468 9.05679 7.2005 8.2992 3.94192 6.01885 numMergedOcc 0
60 mol 79 unq 14 iso 0 dist 9.05679 4.93468 7.2005 6.72546 9.08423 6.29733 numMergedOcc 0
61 mol 79 unq 14 iso 1 dist 4.93468 9.05679 7.2005 6.72546 6.29733 9.08423 numMergedOcc 0
62 mol 92 unq 0 iso 0 dist 6.77241 5.50508 6.2185 6.89071 8.93569 3.98877 numMergedOcc 0
63 mol 92 unq 0 iso 1 dist 5.50508 6.77241 6.2185 6.89071 3.98877 8.93569 numMergedOcc 0
64 mol 93 unq 0 iso 0 dist 8.89417 9.95255 9.11219 7.83506 5.90646 12.949 numMergedOcc 0
65 mol 93 unq 0 iso 1 dist 9.95255 8.89417 9.11219 7.83506 12.949 5.90646 numMergedOcc 0
66 mol 129 unq 0 iso 0 dist 9.73158 7.59327 5.41583 8.98175 9.06432 11.2951 numMergedOcc 0
67 mol 129 unq 0 iso 1 dist 7.59327 9.73158 5.41583 8.98175 11.2951 9.06432 numMergedOcc 0
68 mol 141 unq 0 iso 0 dist 9.83945 6.75376 6.33946 9.59109 3.80087 3.80763 numMergedOcc 0
69 mol 141 unq 0 iso 1 dist 6.75376 9.83945 6.33946 9.59109 3.80763 3.80087 numMergedOcc 0
70 mol 141 unq 1 iso 0 dist 9.83945 9.10042 12.8394 9.59109 3.80087 9.98068 numMergedOcc 0
71 mol 141 unq 1 iso 1 dist 9.10042 9.83945 12.8394 9.59109 9.98068 3.80087 numMergedOcc 0
72 mol 141 unq 1 iso 0 dist 6.75376 9.10042 6.59975 9.59109 3.80763 9.98068 numMergedOcc 0
73 mol 141 unq 1 iso 1 dist 9.10042 6.75376 6.59975 9.59109 9.98068 3.80763 numMergedOcc 0
74 mol 141 unq 2 iso 0 dist 9.10042 9.75059 4.72386 9.38036 3.89483 4.1436 numMergedOcc 0
75 mol 141 unq 2 iso 1 dist 9.75059 9.10042 4.72386 9.38036 4.1436 3.89483 numMergedOcc 0
76 mol 141 unq 3 iso 0 dist 9.10042 6.83404 13.0212 9.38036 3.89483 12.6017 numMergedOcc 0
77 mol 141 unq 3 iso 1 dist 6.83404 9.10042 13.0212 9.38036 12.6017 3.89483 numMergedOcc 0
78 mol 141 unq 3 iso 0 dist 9.75059 6.83404 11.0187 9.38036 4.1436 12.6017 numMergedOcc 0
79 mol 141 unq 3 iso 1 dist 6.83404 9.75059 11.0187 9.38036 12.6017 4.1436 numMergedOcc 0
80 mol 232 unq 0 iso 0 dist 9.78181 9.8664 16.4381 9.78273 12.3206 12.159 numMergedOcc 0
81 mol 232 unq 0 iso 1 dist 9.8664 9.78181 16.4381 9.78273 12.159 12.3206 numMergedOcc 0
82 mol 244 unq 0 iso 0 dist 7.95359 6.22122 10.6423 9.30179 8.74744 13.2473 numMergedOcc 0
83 mol 244 unq 0 iso 1 dist 6.22122 7.95359 10.6423 9.30179 13.2473 8.74744 numMergedOcc 0
84 mol 244 unq 1 iso 0 dist 7.95359 6.22122 10.6423 6.10489 5.98501 10.1665 numMergedOcc 0
85 mol 244 unq 1 iso 1 dist 6.22122 7.95359 10.6423 6.10489 10.1665 5.98501 numMergedOcc 0
86 mol 244 unq 2 iso 0 dist 7.95359 6.22122 10.6423 4.4204 5.00596 5.68434 numMergedOcc 0
87 mol 244 unq 2 iso 1 dist 6.22122 7.95359 10.6423 4.4204 5.68434 5.00596 numMergedOcc 0
88 mol 256 unq 0 iso 0 dist 4.98734 6.33496 6.48174 6.63831 3.70808 10.03 numMergedOcc 0
89 mol 256 unq 0 iso 1 dist 6.33496 4.98734 6.48174 6.63831 10.03 3.70808 numMergedOcc 0
90 mol 256 unq 1 iso 0 dist 4.98734 6.33496 6.48174 9.23909 7.27053 4.26681 numMergedOcc 0
91 mol 256 unq 1 iso 1 dist 6.33496 4.98734 6.48174 9.23909 4.26681 7.27053 numMergedOcc 0
92 mol 256 unq 2 iso 0 dist 6.37963 6.00636 6.48174 8.08629 3.70808 10.03 numMergedOcc 0
93 mol 256 unq 2 iso 1 dist 6.00636 6.37963 6.48174 8.08629 10.03 3.70808 numMergedOcc 0
94 mol 274 unq 0 iso 0 dist 6.88827 9.16942 11.6106 8.09181 8.87313 6.97575 numMergedOcc 0
95 mol 274 unq 0 iso 1 dist 9.16942 6.88827 11.6106 8.09181 6.97575 8.87313 numMergedOcc 0
