0 mol 4 unq 0 iso 0 dist 6.3317 4.56495 8.93278 11.1723 8.68164 12.4627 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 6.3317 11.1723 8.68164 4.56495 8.93278 12.4627 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.11101 7.35151 9.38837 4.76634 9.80913 10.208 numMergedOcc 0
3 mol 78 unq 0 iso 1 dist 6.11101 4.76634 9.80913 7.35151 9.38837 10.208 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.65972 11.5374 9.04293 5.21981 4.78333 6.48468 numMergedOcc 0
5 mol 79 unq 0 iso 1 dist 6.65972 5.21981 4.78333 11.5374 9.04293 6.48468 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 9.61831 4.05415 3.78063 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 8.66427 9.61831 4.05415 12.4236 5.37869 3.78063 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.66427 12.4236 5.37869 11.3963 9.97944 13.0538 numMergedOcc 0
9 mol 85 unq 1 iso 1 dist 8.66427 11.3963 9.97944 12.4236 5.37869 13.0538 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.66427 9.61831 4.05415 11.3963 9.97944 9.79029 numMergedOcc 0
11 mol 85 unq 1 iso 1 dist 8.66427 11.3963 9.97944 9.61831 4.05415 9.79029 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 7.51319 8.08787 4.29937 10.4844 3.65628 3.78063 numMergedOcc 0
13 mol 85 unq 2 iso 1 dist 7.51319 10.4844 3.65628 8.08787 4.29937 3.78063 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 7.51319 8.08787 4.29937 16.4231 9.77774 13.0538 numMergedOcc 0
15 mol 85 unq 3 iso 1 dist 7.51319 16.4231 9.77774 8.08787 4.29937 13.0538 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 7.51319 10.4844 3.65628 16.4231 9.77774 9.79029 numMergedOcc 0
17 mol 85 unq 3 iso 1 dist 7.51319 16.4231 9.77774 10.4844 3.65628 9.79029 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 8.49887 8.08787 5.37869 10.4844 4.05415 3.78063 numMergedOcc 0
19 mol 85 unq 4 iso 1 dist 8.49887 10.4844 4.05415 8.08787 5.37869 3.78063 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 8.49887 8.08787 5.37869 16.4231 9.97944 13.0538 numMergedOcc 0
21 mol 85 unq 5 iso 1 dist 8.49887 16.4231 9.97944 8.08787 5.37869 13.0538 numMergedOcc 0
22 mol 85 unq 5 iso 0 dist 8.49887 10.4844 4.05415 16.4231 9.97944 9.79029 numMergedOcc 0
23 mol 85 unq 5 iso 1 dist 8.49887 16.4231 9.97944 10.4844 4.05415 9.79029 numMergedOcc 0
24 mol 85 unq 6 iso 0 dist 9.43839 11.053 4.29937 7.97629 3.65628 3.78063 numMergedOcc 0
25 mol 85 unq 6 iso 1 dist 9.43839 7.97629 3.65628 11.053 4.29937 3.78063 numMergedOcc 0
26 mol 85 unq 7 iso 0 dist 9.43839 11.053 4.29937 5.46713 9.77774 13.0538 numMergedOcc 0
27 mol 85 unq 7 iso 1 dist 9.43839 5.46713 9.77774 11.053 4.29937 13.0538 numMergedOcc 0
28 mol 85 unq 7 iso 0 dist 9.43839 7.97629 3.65628 5.46713 9.77774 9.79029 numMergedOcc 0
29 mol 85 unq 7 iso 1 dist 9.43839 5.46713 9.77774 7.97629 3.65628 9.79029 numMergedOcc 0
30 mol 95 unq 0 iso 0 dist 9.02905 8.32734 4.3439 4.79063 6.05855 6.27231 numMergedOcc 0
31 mol 95 unq 0 iso 1 dist 9.02905 4.79063 6.05855 8.32734 4.3439 6.27231 numMergedOcc 0
32 mol 107 unq 0 iso 0 dist 7.2168 9.89064 5.31375 13.076 6.49371 7.4799 numMergedOcc 0
33 mol 107 unq 0 iso 1 dist 7.2168 13.076 6.49371 9.89064 5.31375 7.4799 numMergedOcc 0
34 mol 112 unq 0 iso 0 dist 9.64908 6.13615 5.92828 4.49971 9.1247 6.38762 numMergedOcc 0
35 mol 112 unq 0 iso 1 dist 9.64908 4.49971 9.1247 6.13615 5.92828 6.38762 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 7.15294 8.99961 6.41254 numMergedOcc 0
37 mol 194 unq 0 iso 1 dist 7.56217 7.15294 8.99961 5.39223 4.45769 6.41254 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 9.81055 5.39223 5.89939 7.15294 8.18853 6.41254 numMergedOcc 0
39 mol 194 unq 1 iso 1 dist 9.81055 7.15294 8.18853 5.39223 5.89939 6.41254 numMergedOcc 0
40 mol 254 unq 0 iso 0 dist 9.84028 8.2786 5.6417 5.20737 7.42831 3.42946 numMergedOcc 0
41 mol 254 unq 0 iso 1 dist 9.84028 5.20737 7.42831 8.2786 5.6417 3.42946 numMergedOcc 0
42 mol 260 unq 0 iso 0 dist 6.90472 4.35925 9.73217 13.8859 7.49606 17.1683 numMergedOcc 0
43 mol 260 unq 0 iso 1 dist 6.90472 13.8859 7.49606 4.35925 9.73217 17.1683 numMergedOcc 0
44 mol 260 unq 1 iso 0 dist 6.90472 4.35925 9.73217 13.5662 8.06377 16.9969 numMergedOcc 0
45 mol 260 unq 1 iso 1 dist 6.90472 13.5662 8.06377 4.35925 9.73217 16.9969 numMergedOcc 0
46 mol 260 unq 1 iso 0 dist 6.90472 13.8859 7.49606 13.5662 8.06377 5.12515 numMergedOcc 0
47 mol 260 unq 1 iso 1 dist 6.90472 13.5662 8.06377 13.8859 7.49606 5.12515 numMergedOcc 0
