0 mol 27 unq 0 iso 0 dist 9.62305 11.3937 9.77484 5.84177 8.71752 6.65855 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.62305 11.3937 9.77484 6.25033 7.60283 14.3929 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.55469 6.98188 6.40841 10.4636 8.71468 7.12541 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.55469 8.66876 7.58407 10.4636 8.71468 11.387 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 9.55469 5.69963 6.31428 10.4636 8.71468 5.74871 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 5.99959 9.0406 6.40841 6.10173 8.71468 7.12541 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 5.99959 6.58144 7.58407 6.10173 8.71468 11.387 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 5.99959 4.98107 6.31428 6.10173 8.71468 5.74871 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 5.42653 11.3925 8.39016 9.48551 9.56752 9.60325 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 5.42653 5.52097 6.99355 9.48551 9.56752 7.25602 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 8.71991 13.8549 8.39016 7.0274 9.56752 9.60325 numMergedOcc 0
11 mol 90 unq 3 iso 0 dist 8.71991 10.226 6.99355 7.0274 9.56752 7.25602 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.01727 9.63729 9.39469 5.22561 7.09065 9.36726 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.01727 6.27843 4.76815 5.22561 7.09065 7.16919 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.41059 9.79245 7.76729 5.84237 7.70313 14.0688 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 6.53104 10.1501 7.64585 5.98956 7.52142 6.40494 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.87854 10.7944 7.39889 8.10869 7.26955 5.92984 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 9.87854 16.5599 9.63176 8.10869 7.26955 15.5019 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 9.87854 5.72463 7.44174 8.10869 7.26955 10.314 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 9.89595 6.52984 6.27641 11.7605 5.81122 5.4555 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 8.15486 5.64431 8.36822 5.76622 7.33225 8.49529 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 5.35423 7.87106 6.95408 8.86184 9.86703 5.43725 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 5.35423 6.11703 9.57538 8.86184 9.86703 10.0597 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 5.35423 6.8726 9.2285 8.86184 9.86703 13.5246 numMergedOcc 0
24 mol 194 unq 3 iso 0 dist 5.35423 6.80685 7.58278 8.86184 9.86703 14.8824 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.3853 10.228 8.14172 10.0472 8.90076 12.2874 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 5.3853 10.228 8.14172 10.0651 6.62002 7.11984 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 5.3853 5.88292 6.77463 10.0472 8.90076 10.4017 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 5.3853 5.88292 6.77463 10.0651 6.62002 7.95232 numMergedOcc 0
29 mol 256 unq 0 iso 0 dist 7.54244 9.41321 5.24676 12.9347 7.48269 5.28793 numMergedOcc 0
30 mol 256 unq 1 iso 0 dist 7.54244 9.41321 5.24676 8.03672 6.71249 4.99672 numMergedOcc 0
31 mol 256 unq 2 iso 0 dist 7.54244 9.41321 5.24676 5.9572 9.18903 7.7384 numMergedOcc 0
32 mol 256 unq 3 iso 0 dist 7.54244 7.29128 8.09363 12.9347 7.48269 10.134 numMergedOcc 0
33 mol 256 unq 4 iso 0 dist 7.54244 7.29128 8.09363 8.03672 6.71249 5.94495 numMergedOcc 0
34 mol 256 unq 5 iso 0 dist 7.54244 7.29128 8.09363 5.9572 9.18903 11.0837 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 7.4619 10.3684 7.50578 6.29323 8.92185 14.3125 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 6.37816 5.18053 8.12892 6.29323 7.7574 9.49258 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 8.62569 16.3793 9.0012 9.62076 5.91213 7.52936 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 7.15628 8.27402 7.34205 14.2963 8.87606 10.808 numMergedOcc 0
