0 mol 4 unq 0 iso 0 dist 8.85328 15.4662 7.35416 6.47885 6.42755 10.6506 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 8.85328 6.47885 6.42755 15.4662 7.35416 10.6506 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.05244 5.92892 5.76024 4.80294 7.92714 5.25297 numMergedOcc 0
3 mol 12 unq 0 iso 1 dist 6.05244 4.80294 7.92714 5.92892 5.76024 5.25297 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 6.05244 5.92892 5.76024 10.6891 8.47217 6.82858 numMergedOcc 0
5 mol 12 unq 1 iso 1 dist 6.05244 10.6891 8.47217 5.92892 5.76024 6.82858 numMergedOcc 0
6 mol 12 unq 1 iso 0 dist 6.05244 4.80294 7.92714 10.6891 8.47217 11.9461 numMergedOcc 0
7 mol 12 unq 1 iso 1 dist 6.05244 10.6891 8.47217 4.80294 7.92714 11.9461 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 6.29581 6.92643 5.86181 12.586 6.3253 9.9801 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 6.29581 12.586 6.3253 6.92643 5.86181 9.9801 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 6.29581 6.92643 5.86181 9.82353 5.80568 5.64041 numMergedOcc 0
11 mol 20 unq 1 iso 1 dist 6.29581 9.82353 5.80568 6.92643 5.86181 5.64041 numMergedOcc 0
12 mol 20 unq 1 iso 0 dist 6.29581 12.586 6.3253 9.82353 5.80568 7.57412 numMergedOcc 0
13 mol 20 unq 1 iso 1 dist 6.29581 9.82353 5.80568 12.586 6.3253 7.57412 numMergedOcc 0
14 mol 20 unq 2 iso 0 dist 5.21143 7.05618 5.86181 10.3161 6.3253 9.9801 numMergedOcc 0
15 mol 20 unq 2 iso 1 dist 5.21143 10.3161 6.3253 7.05618 5.86181 9.9801 numMergedOcc 0
16 mol 20 unq 3 iso 0 dist 5.21143 7.05618 5.86181 5.82005 5.80568 5.64041 numMergedOcc 0
17 mol 20 unq 3 iso 1 dist 5.21143 5.82005 5.80568 7.05618 5.86181 5.64041 numMergedOcc 0
18 mol 20 unq 3 iso 0 dist 5.21143 10.3161 6.3253 5.82005 5.80568 7.57412 numMergedOcc 0
19 mol 20 unq 3 iso 1 dist 5.21143 5.82005 5.80568 10.3161 6.3253 7.57412 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.21813 6.3915 7.36769 5.081 6.88901 10.2754 numMergedOcc 0
21 mol 98 unq 0 iso 1 dist 5.21813 5.081 6.88901 6.3915 7.36769 10.2754 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 7.89276 11.0602 7.36769 14.1992 6.88901 10.2754 numMergedOcc 0
23 mol 98 unq 1 iso 1 dist 7.89276 14.1992 6.88901 11.0602 7.36769 10.2754 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.29665 5.5502 6.84835 8.24649 8.42748 9.63809 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 9.29665 8.24649 8.42748 5.5502 6.84835 9.63809 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 5.08086 9.91819 6.84835 5.16948 8.42748 9.63809 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 5.08086 5.16948 8.42748 9.91819 6.84835 9.63809 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 5.42285 13.6106 8.21184 10.3208 5.9976 6.12113 numMergedOcc 0
29 mol 156 unq 0 iso 1 dist 5.42285 10.3208 5.9976 13.6106 8.21184 6.12113 numMergedOcc 0
30 mol 192 unq 0 iso 0 dist 8.25221 11.3395 8.26288 8.47522 6.60053 9.52218 numMergedOcc 0
31 mol 192 unq 0 iso 1 dist 8.25221 8.47522 6.60053 11.3395 8.26288 9.52218 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 7.51337 7.6183 8.37739 11.0788 9.47237 4.23863 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 7.51337 11.0788 9.47237 7.6183 8.37739 4.23863 numMergedOcc 0
34 mol 256 unq 0 iso 0 dist 5.58036 10.8477 6.33496 9.95403 6.00636 4.56465 numMergedOcc 0
35 mol 256 unq 0 iso 1 dist 5.58036 9.95403 6.00636 10.8477 6.33496 4.56465 numMergedOcc 0
36 mol 256 unq 1 iso 0 dist 5.58036 10.8477 6.33496 7.21464 7.81448 9.60398 numMergedOcc 0
37 mol 256 unq 1 iso 1 dist 5.58036 7.21464 7.81448 10.8477 6.33496 9.60398 numMergedOcc 0
38 mol 256 unq 2 iso 0 dist 5.58036 10.8477 6.33496 10.4702 8.54499 7.37964 numMergedOcc 0
39 mol 256 unq 2 iso 1 dist 5.58036 10.4702 8.54499 10.8477 6.33496 7.37964 numMergedOcc 0
40 mol 256 unq 1 iso 0 dist 5.58036 9.95403 6.00636 7.21464 7.81448 11.7084 numMergedOcc 0
41 mol 256 unq 1 iso 1 dist 5.58036 7.21464 7.81448 9.95403 6.00636 11.7084 numMergedOcc 0
42 mol 256 unq 2 iso 0 dist 5.58036 9.95403 6.00636 10.4702 8.54499 10.9861 numMergedOcc 0
43 mol 256 unq 2 iso 1 dist 5.58036 10.4702 8.54499 9.95403 6.00636 10.9861 numMergedOcc 0
44 mol 256 unq 2 iso 0 dist 5.58036 7.21464 7.81448 10.4702 8.54499 4.46458 numMergedOcc 0
45 mol 256 unq 2 iso 1 dist 5.58036 10.4702 8.54499 7.21464 7.81448 4.46458 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 6.74022 8.85159 6.88827 9.16187 9.16942 11.6106 numMergedOcc 0
47 mol 274 unq 0 iso 1 dist 6.74022 9.16187 9.16942 8.85159 6.88827 11.6106 numMergedOcc 0
