0 mol 9 unq 0 iso 0 dist 9.57198 13.9252 7.35972 18.4167 9.93542 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.57198 18.4167 9.93542 13.9252 7.35972 5.43306 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 8.73067 7.5901 7.98326 12.5553 7.46578 8.00765 numMergedOcc 0
3 mol 11 unq 0 iso 1 dist 8.73067 12.5553 7.46578 7.5901 7.98326 8.00765 numMergedOcc 0
4 mol 11 unq 1 iso 0 dist 9.09091 8.17605 7.98326 12.9594 7.90478 8.05578 numMergedOcc 0
5 mol 11 unq 1 iso 1 dist 9.09091 12.9594 7.90478 8.17605 7.98326 8.05578 numMergedOcc 0
6 mol 12 unq 0 iso 0 dist 6.96422 5.4274 5.76024 8.06296 7.92714 5.25297 numMergedOcc 0
7 mol 12 unq 0 iso 1 dist 6.96422 8.06296 7.92714 5.4274 5.76024 5.25297 numMergedOcc 0
8 mol 12 unq 1 iso 0 dist 6.96422 5.4274 5.76024 6.65972 8.47217 6.82858 numMergedOcc 0
9 mol 12 unq 1 iso 1 dist 6.96422 6.65972 8.47217 5.4274 5.76024 6.82858 numMergedOcc 0
10 mol 12 unq 1 iso 0 dist 6.96422 8.06296 7.92714 6.65972 8.47217 11.9461 numMergedOcc 0
11 mol 12 unq 1 iso 1 dist 6.96422 6.65972 8.47217 8.06296 7.92714 11.9461 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.63599 6.49291 9.78384 11.51 8.87742 14.8479 numMergedOcc 0
13 mol 79 unq 0 iso 1 dist 9.63599 11.51 8.87742 6.49291 9.78384 14.8479 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 9.63599 6.49291 9.78384 7.82761 4.93468 8.25967 numMergedOcc 0
15 mol 79 unq 1 iso 1 dist 9.63599 7.82761 4.93468 6.49291 9.78384 8.25967 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 9.63599 11.51 8.87742 7.82761 4.93468 7.21092 numMergedOcc 0
17 mol 79 unq 1 iso 1 dist 9.63599 7.82761 4.93468 11.51 8.87742 7.21092 numMergedOcc 0
18 mol 79 unq 2 iso 0 dist 7.87237 5.97134 9.26979 9.00783 9.05679 6.70789 numMergedOcc 0
19 mol 79 unq 2 iso 1 dist 7.87237 9.00783 9.05679 5.97134 9.26979 6.70789 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 7.87237 5.97134 9.26979 4.52595 4.93468 7.7277 numMergedOcc 0
21 mol 79 unq 3 iso 1 dist 7.87237 4.52595 4.93468 5.97134 9.26979 7.7277 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 7.87237 9.00783 9.05679 4.52595 4.93468 7.2005 numMergedOcc 0
23 mol 79 unq 3 iso 1 dist 7.87237 4.52595 4.93468 9.00783 9.05679 7.2005 numMergedOcc 0
24 mol 79 unq 4 iso 0 dist 8.01743 6.4154 9.78384 11.4135 8.87742 14.8479 numMergedOcc 0
25 mol 79 unq 4 iso 1 dist 8.01743 11.4135 8.87742 6.4154 9.78384 14.8479 numMergedOcc 0
26 mol 79 unq 5 iso 0 dist 8.01743 6.4154 9.78384 4.58851 4.93468 8.25967 numMergedOcc 0
27 mol 79 unq 5 iso 1 dist 8.01743 4.58851 4.93468 6.4154 9.78384 8.25967 numMergedOcc 0
28 mol 79 unq 5 iso 0 dist 8.01743 11.4135 8.87742 4.58851 4.93468 7.21092 numMergedOcc 0
29 mol 79 unq 5 iso 1 dist 8.01743 4.58851 4.93468 11.4135 8.87742 7.21092 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 6.95465 8.71385 9.60622 5.54732 9.91054 5.74171 numMergedOcc 0
31 mol 92 unq 0 iso 1 dist 6.95465 5.54732 9.91054 8.71385 9.60622 5.74171 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 6.0129 10.2677 7.36769 5.71029 6.88901 10.2754 numMergedOcc 0
33 mol 98 unq 0 iso 1 dist 6.0129 5.71029 6.88901 10.2677 7.36769 10.2754 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.87262 10.6436 6.84835 9.01682 8.42748 9.63809 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 6.87262 9.01682 8.42748 10.6436 6.84835 9.63809 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 7.30946 8.79853 8.21184 5.69209 5.41575 4.40883 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 7.30946 5.69209 5.41575 8.79853 8.21184 4.40883 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 6.05323 11.9671 8.21184 8.69711 5.9976 6.12113 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 6.05323 8.69711 5.9976 11.9671 8.21184 6.12113 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.06217 10.6325 7.32087 8.15174 8.86197 9.87773 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 9.06217 8.15174 8.86197 10.6325 7.32087 9.87773 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 7.13252 8.45963 7.32087 11.047 8.86197 9.87773 numMergedOcc 0
43 mol 181 unq 1 iso 1 dist 7.13252 11.047 8.86197 8.45963 7.32087 9.87773 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 6.32777 7.23063 8.86197 5.42554 5.94379 11.5564 numMergedOcc 0
45 mol 181 unq 2 iso 1 dist 6.32777 5.42554 5.94379 7.23063 8.86197 11.5564 numMergedOcc 0
46 mol 192 unq 0 iso 0 dist 7.33225 8.38671 6.60053 11.0721 9.36796 4.20321 numMergedOcc 0
47 mol 192 unq 0 iso 1 dist 7.33225 11.0721 9.36796 8.38671 6.60053 4.20321 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 8.52969 4.26755 6.38324 11.8663 6.1886 9.4131 numMergedOcc 0
49 mol 194 unq 0 iso 1 dist 8.52969 11.8663 6.1886 4.26755 6.38324 9.4131 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 7.17337 5.12599 9.78181 16.1253 9.8664 16.4381 numMergedOcc 0
51 mol 232 unq 0 iso 1 dist 7.17337 16.1253 9.8664 5.12599 9.78181 16.4381 numMergedOcc 0
52 mol 256 unq 0 iso 0 dist 9.18903 10.4051 6.37963 13.9633 6.00636 6.48174 numMergedOcc 0
53 mol 256 unq 0 iso 1 dist 9.18903 13.9633 6.00636 10.4051 6.37963 6.48174 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 5.80452 4.12456 6.73712 10.4684 9.35704 10.2665 numMergedOcc 0
55 mol 280 unq 0 iso 1 dist 5.80452 10.4684 9.35704 4.12456 6.73712 10.2665 numMergedOcc 0
56 mol 280 unq 1 iso 0 dist 7.82157 9.56032 6.73712 6.37191 9.35704 10.2665 numMergedOcc 0
57 mol 280 unq 1 iso 1 dist 7.82157 6.37191 9.35704 9.56032 6.73712 10.2665 numMergedOcc 0
