0 mol 9 unq 0 iso 0 dist 9.27637 15.0681 8.55446 11.8296 6.59455 6.04312 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.27637 11.8296 6.59455 15.0681 8.55446 6.04312 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.27637 15.0681 8.55446 5.67536 5.71201 10.2644 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 9.27637 5.67536 5.71201 15.0681 8.55446 10.2644 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.27637 11.8296 6.59455 5.67536 5.71201 6.17866 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 9.27637 5.67536 5.71201 11.8296 6.59455 6.17866 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.60423 4.32034 9.69752 8.52463 9.36461 10.2653 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 6.60423 8.52463 9.36461 4.32034 9.69752 10.2653 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 7.83786 9.6469 9.69752 14.6654 9.36461 10.2653 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 7.83786 14.6654 9.36461 9.6469 9.69752 10.2653 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 4.93188 5.11617 4.90592 10.8238 8.16324 9.62033 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 4.93188 10.8238 8.16324 5.11617 4.90592 9.62033 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 9.24958 13.2229 4.90592 6.7828 8.16324 9.62033 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 9.24958 6.7828 8.16324 13.2229 4.90592 9.62033 numMergedOcc 0
14 mol 44 unq 0 iso 0 dist 7.52117 4.55437 7.03307 6.16231 7.25707 5.25016 numMergedOcc 0
15 mol 44 unq 0 iso 1 dist 7.52117 6.16231 7.25707 4.55437 7.03307 5.25016 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 8.65802 13.534 8.57827 5.83515 7.94453 11.7781 numMergedOcc 0
17 mol 92 unq 0 iso 1 dist 8.65802 5.83515 7.94453 13.534 8.57827 11.7781 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 9.89358 7.91683 12.3703 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 7.77116 9.89358 7.91683 7.20179 8.8562 12.3703 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 9.46588 6.0268 5.94233 8.01268 8.56219 6.71205 numMergedOcc 0
21 mol 126 unq 0 iso 1 dist 9.46588 8.01268 8.56219 6.0268 5.94233 6.71205 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 9.28592 8.01932 9.13191 6.75397 6.95405 12.2217 numMergedOcc 0
23 mol 130 unq 0 iso 1 dist 9.28592 6.75397 6.95405 8.01932 9.13191 12.2217 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 9.60968 8.50562 5.37172 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 9.15431 9.60968 8.50562 6.51918 5.44303 5.37172 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 8.86329 10.3369 8.92828 7.7567 5.56627 5.37172 numMergedOcc 0
27 mol 131 unq 1 iso 1 dist 8.86329 7.7567 5.56627 10.3369 8.92828 5.37172 numMergedOcc 0
28 mol 131 unq 2 iso 0 dist 8.71039 7.92788 8.92828 8.23791 5.56627 5.37172 numMergedOcc 0
29 mol 131 unq 2 iso 1 dist 8.71039 8.23791 5.56627 7.92788 8.92828 5.37172 numMergedOcc 0
30 mol 131 unq 3 iso 0 dist 6.92648 7.92788 5.44303 8.23791 8.50562 5.37172 numMergedOcc 0
31 mol 131 unq 3 iso 1 dist 6.92648 8.23791 8.50562 7.92788 5.44303 5.37172 numMergedOcc 0
32 mol 131 unq 4 iso 0 dist 9.29384 13.1439 5.44303 13.7237 8.50562 5.37172 numMergedOcc 0
33 mol 131 unq 4 iso 1 dist 9.29384 13.7237 8.50562 13.1439 5.44303 5.37172 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 6.69515 10.1386 4.46777 7.42649 6.94988 6.51325 numMergedOcc 0
35 mol 141 unq 0 iso 1 dist 6.69515 7.42649 6.94988 10.1386 4.46777 6.51325 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 7.86572 10.1432 4.46777 9.43674 6.94988 6.51325 numMergedOcc 0
37 mol 141 unq 1 iso 1 dist 7.86572 9.43674 6.94988 10.1432 4.46777 6.51325 numMergedOcc 0
38 mol 158 unq 0 iso 0 dist 7.88319 6.4079 6.76055 4.25067 9.36343 6.97949 numMergedOcc 0
39 mol 158 unq 0 iso 1 dist 7.88319 4.25067 9.36343 6.4079 6.76055 6.97949 numMergedOcc 0
40 mol 162 unq 0 iso 0 dist 6.20182 4.20425 7.14263 6.07158 8.57005 10.0763 numMergedOcc 0
41 mol 162 unq 0 iso 1 dist 6.20182 6.07158 8.57005 4.20425 7.14263 10.0763 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 8.0154 6.29885 8.05247 7.27408 9.71028 6.91059 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 8.0154 7.27408 9.71028 6.29885 8.05247 6.91059 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 7.35824 11.8693 5.89564 6.77832 5.60528 6.75531 numMergedOcc 0
45 mol 175 unq 1 iso 1 dist 7.35824 6.77832 5.60528 11.8693 5.89564 6.75531 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.83476 10.5063 4.5271 14.4429 7.02575 6.68665 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 9.83476 14.4429 7.02575 10.5063 4.5271 6.68665 numMergedOcc 0
48 mol 210 unq 0 iso 0 dist 7.63018 5.85636 5.57779 10.0337 7.05649 7.33239 numMergedOcc 0
49 mol 210 unq 0 iso 1 dist 7.63018 10.0337 7.05649 5.85636 5.57779 7.33239 numMergedOcc 0
50 mol 210 unq 1 iso 0 dist 7.63018 5.85636 5.57779 7.67559 6.78579 8.67862 numMergedOcc 0
51 mol 210 unq 1 iso 1 dist 7.63018 7.67559 6.78579 5.85636 5.57779 8.67862 numMergedOcc 0
52 mol 210 unq 1 iso 0 dist 7.63018 10.0337 7.05649 7.67559 6.78579 5.72053 numMergedOcc 0
53 mol 210 unq 1 iso 1 dist 7.63018 7.67559 6.78579 10.0337 7.05649 5.72053 numMergedOcc 0
54 mol 222 unq 0 iso 0 dist 9.2581 5.89689 9.08955 8.92719 8.88664 6.85131 numMergedOcc 0
55 mol 222 unq 0 iso 1 dist 9.2581 8.92719 8.88664 5.89689 9.08955 6.85131 numMergedOcc 0
56 mol 222 unq 1 iso 0 dist 9.2581 5.89689 9.08955 5.82526 7.16819 6.76935 numMergedOcc 0
57 mol 222 unq 1 iso 1 dist 9.2581 5.82526 7.16819 5.89689 9.08955 6.76935 numMergedOcc 0
58 mol 222 unq 1 iso 0 dist 9.2581 8.92719 8.88664 5.82526 7.16819 4.19322 numMergedOcc 0
59 mol 222 unq 1 iso 1 dist 9.2581 5.82526 7.16819 8.92719 8.88664 4.19322 numMergedOcc 0
60 mol 222 unq 2 iso 0 dist 9.62632 10.6944 9.08955 15.4372 8.88664 6.85131 numMergedOcc 0
61 mol 222 unq 2 iso 1 dist 9.62632 15.4372 8.88664 10.6944 9.08955 6.85131 numMergedOcc 0
62 mol 222 unq 3 iso 0 dist 9.62632 10.6944 9.08955 12.9388 7.16819 6.76935 numMergedOcc 0
63 mol 222 unq 3 iso 1 dist 9.62632 12.9388 7.16819 10.6944 9.08955 6.76935 numMergedOcc 0
64 mol 222 unq 3 iso 0 dist 9.62632 15.4372 8.88664 12.9388 7.16819 4.19322 numMergedOcc 0
65 mol 222 unq 3 iso 1 dist 9.62632 12.9388 7.16819 15.4372 8.88664 4.19322 numMergedOcc 0
66 mol 222 unq 4 iso 0 dist 7.862 7.75466 9.08955 12.1951 8.88664 6.85131 numMergedOcc 0
67 mol 222 unq 4 iso 1 dist 7.862 12.1951 8.88664 7.75466 9.08955 6.85131 numMergedOcc 0
68 mol 222 unq 5 iso 0 dist 7.862 7.75466 9.08955 11.6161 7.16819 6.76935 numMergedOcc 0
69 mol 222 unq 5 iso 1 dist 7.862 11.6161 7.16819 7.75466 9.08955 6.76935 numMergedOcc 0
70 mol 222 unq 5 iso 0 dist 7.862 12.1951 8.88664 11.6161 7.16819 4.19322 numMergedOcc 0
71 mol 222 unq 5 iso 1 dist 7.862 11.6161 7.16819 12.1951 8.88664 4.19322 numMergedOcc 0
72 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 8.21235 7.77552 4.23863 numMergedOcc 0
73 mol 225 unq 0 iso 1 dist 8.87609 8.21235 7.77552 5.76292 9.23935 4.23863 numMergedOcc 0
74 mol 230 unq 0 iso 0 dist 6.41286 6.33877 8.34416 5.0515 6.34832 5.10781 numMergedOcc 0
75 mol 230 unq 0 iso 1 dist 6.41286 5.0515 6.34832 6.33877 8.34416 5.10781 numMergedOcc 0
76 mol 282 unq 0 iso 0 dist 5.23193 7.55098 8.53065 6.46616 8.67489 12.6015 numMergedOcc 0
77 mol 282 unq 0 iso 1 dist 5.23193 6.46616 8.67489 7.55098 8.53065 12.6015 numMergedOcc 0
