0 mol 54 unq 0 iso 0 dist 6.77145 4.87397 4.83453 8.6777 5.40127 9.22563 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 4.87397 6.77145 4.83453 8.6777 9.22563 5.40127 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.7638 8.55679 5.41839 6.58179 5.44338 10.6068 numMergedOcc 0
3 mol 55 unq 0 iso 1 dist 8.55679 5.7638 5.41839 6.58179 10.6068 5.44338 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.84466 9.2948 16.5604 8.61597 14.4533 3.24551 numMergedOcc 0
5 mol 93 unq 0 iso 1 dist 9.2948 8.84466 16.5604 8.61597 3.24551 14.4533 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 7.57442 8.73938 10.4392 7.22615 11.4071 5.76401 numMergedOcc 0
7 mol 96 unq 0 iso 1 dist 8.73938 7.57442 10.4392 7.22615 5.76401 11.4071 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 9.42444 9.64736 7.56588 9.75833 4.93451 6.12524 numMergedOcc 0
9 mol 103 unq 0 iso 1 dist 9.64736 9.42444 7.56588 9.75833 6.12524 4.93451 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.08796 5.93515 6.7732 7.24832 3.59953 9.61614 numMergedOcc 0
11 mol 181 unq 0 iso 1 dist 5.93515 5.08796 6.7732 7.24832 9.61614 3.59953 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 7.5578 6.06763 5.81461 8.60009 3.15736 5.80135 numMergedOcc 0
13 mol 185 unq 0 iso 1 dist 6.06763 7.5578 5.81461 8.60009 5.80135 3.15736 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.58385 6.83539 5.17942 8.52735 3.49673 3.42123 numMergedOcc 0
15 mol 225 unq 0 iso 1 dist 6.83539 9.58385 5.17942 8.52735 3.42123 3.49673 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 9.58385 6.83539 5.17942 5.65735 7.3107 6.9328 numMergedOcc 0
17 mol 225 unq 1 iso 1 dist 6.83539 9.58385 5.17942 5.65735 6.9328 7.3107 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 9.58385 6.22747 5.22094 8.52735 3.49673 5.59654 numMergedOcc 0
19 mol 225 unq 2 iso 1 dist 6.22747 9.58385 5.22094 8.52735 5.59654 3.49673 numMergedOcc 0
20 mol 225 unq 3 iso 0 dist 9.58385 6.22747 5.22094 5.65735 7.3107 3.90226 numMergedOcc 0
21 mol 225 unq 3 iso 1 dist 6.22747 9.58385 5.22094 5.65735 3.90226 7.3107 numMergedOcc 0
22 mol 225 unq 4 iso 0 dist 9.58385 9.21404 13.3753 8.52735 3.49673 14.7084 numMergedOcc 0
23 mol 225 unq 4 iso 1 dist 9.21404 9.58385 13.3753 8.52735 14.7084 3.49673 numMergedOcc 0
24 mol 225 unq 5 iso 0 dist 9.58385 9.21404 13.3753 5.65735 7.3107 6.59432 numMergedOcc 0
25 mol 225 unq 5 iso 1 dist 9.21404 9.58385 13.3753 5.65735 6.59432 7.3107 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 6.83539 6.22747 3.3846 8.52735 3.42123 5.59654 numMergedOcc 0
27 mol 225 unq 2 iso 1 dist 6.22747 6.83539 3.3846 8.52735 5.59654 3.42123 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 6.83539 6.22747 3.3846 5.65735 6.9328 3.90226 numMergedOcc 0
29 mol 225 unq 3 iso 1 dist 6.22747 6.83539 3.3846 5.65735 3.90226 6.9328 numMergedOcc 0
30 mol 225 unq 4 iso 0 dist 6.83539 9.21404 13.3606 8.52735 3.42123 14.7084 numMergedOcc 0
31 mol 225 unq 4 iso 1 dist 9.21404 6.83539 13.3606 8.52735 14.7084 3.42123 numMergedOcc 0
32 mol 225 unq 5 iso 0 dist 6.83539 9.21404 13.3606 5.65735 6.9328 6.59432 numMergedOcc 0
33 mol 225 unq 5 iso 1 dist 9.21404 6.83539 13.3606 5.65735 6.59432 6.9328 numMergedOcc 0
34 mol 225 unq 4 iso 0 dist 6.22747 9.21404 10.4457 8.52735 5.59654 14.7084 numMergedOcc 0
35 mol 225 unq 4 iso 1 dist 9.21404 6.22747 10.4457 8.52735 14.7084 5.59654 numMergedOcc 0
36 mol 225 unq 5 iso 0 dist 6.22747 9.21404 10.4457 5.65735 3.90226 6.59432 numMergedOcc 0
37 mol 225 unq 5 iso 1 dist 9.21404 6.22747 10.4457 5.65735 6.59432 3.90226 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 9.8678 8.00278 4.78111 9.2684 9.75276 12.1799 numMergedOcc 0
39 mol 266 unq 0 iso 1 dist 8.00278 9.8678 4.78111 9.2684 12.1799 9.75276 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 8.19213 5.80664 8.46742 8.15636 8.78444 12.0542 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 5.80664 8.19213 8.46742 8.15636 12.0542 8.78444 numMergedOcc 0
42 mol 287 unq 1 iso 0 dist 8.19213 5.80664 8.46742 7.86292 3.7428 8.10528 numMergedOcc 0
43 mol 287 unq 1 iso 1 dist 5.80664 8.19213 8.46742 7.86292 8.10528 3.7428 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 8.19213 5.80664 8.46742 8.15636 8.78444 12.0542 numMergedOcc 0
45 mol 288 unq 0 iso 1 dist 5.80664 8.19213 8.46742 8.15636 12.0542 8.78444 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 8.19213 5.80664 8.46742 7.86292 3.7428 8.10528 numMergedOcc 0
47 mol 288 unq 1 iso 1 dist 5.80664 8.19213 8.46742 7.86292 8.10528 3.7428 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 8.19213 5.80664 8.46742 8.15636 8.78444 12.0542 numMergedOcc 0
49 mol 289 unq 0 iso 1 dist 5.80664 8.19213 8.46742 8.15636 12.0542 8.78444 numMergedOcc 0
50 mol 289 unq 1 iso 0 dist 8.19213 5.80664 8.46742 7.86292 3.7428 8.10528 numMergedOcc 0
51 mol 289 unq 1 iso 1 dist 5.80664 8.19213 8.46742 7.86292 8.10528 3.7428 numMergedOcc 0
52 mol 294 unq 0 iso 0 dist 8.74181 8.96987 6.19256 8.81999 4.93923 10.6017 numMergedOcc 0
53 mol 294 unq 0 iso 1 dist 8.96987 8.74181 6.19256 8.81999 10.6017 4.93923 numMergedOcc 0
54 mol 294 unq 1 iso 0 dist 8.74181 8.96987 6.19256 4.83062 10.0659 7.2873 numMergedOcc 0
55 mol 294 unq 1 iso 1 dist 8.96987 8.74181 6.19256 4.83062 7.2873 10.0659 numMergedOcc 0
56 mol 294 unq 2 iso 0 dist 8.74181 8.96987 6.19256 5.18334 12.3645 11.3568 numMergedOcc 0
57 mol 294 unq 2 iso 1 dist 8.96987 8.74181 6.19256 5.18334 11.3568 12.3645 numMergedOcc 0
