0 mol 11 unq 0 iso 0 dist 9.52695 9.07476 6.76736 5.8961 5.96346 6.84216 11.7765 13.5125 14.8738 8.68293 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 9.04534 6.51674 5.71129 6.35398 6.58046 11.8229 12.9584 13.3327 8.01262 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.48774 6.3323 4.0719 11.1132 6.60933 7.44558 14.9801 6.57741 9.99088 8.11702 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 5.37302 7.08403 3.52111 14.0364 9.66219 7.02367 15.267 13.7232 10.8127 9.30832 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 9.66068 7.96893 6.29259 16.3524 8.8822 15.0024 11.3681 5.40648 11.0417 7.02367 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 9.66068 7.96893 6.29259 16.3524 8.8822 15.0024 19.7026 15.5674 21.4411 9.30832 numMergedOcc 0
6 mol 113 unq 3 iso 0 dist 8.03783 7.96893 8.17309 16.3524 9.66219 15.0024 11.3681 3.52111 11.0417 7.02367 numMergedOcc 0
7 mol 113 unq 4 iso 0 dist 8.03783 7.96893 8.17309 16.3524 9.66219 15.0024 19.7026 13.7232 21.4411 9.30832 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 9.62943 9.37245 9.10855 4.12904 9.07943 8.16252 11.9872 9.82832 3.25368 9.90947 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 8.90876 8.97414 8.8681 12.1014 7.44629 15.6838 8.00063 5.71136 8.38976 8.92592 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 8.90876 8.97414 8.8681 12.1014 7.44629 15.6838 10.8516 5.46307 8.62142 9.57452 numMergedOcc 0
11 mol 168 unq 2 iso 0 dist 8.90876 8.00063 5.71136 12.1014 7.44629 8.92592 10.8516 5.46307 3.44823 9.57452 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 8.95598 9.10344 5.69882 4.41193 6.42735 8.22001 11.7036 5.05856 10.045 9.84566 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 7.83422 9.67243 12.3471 9.60401 9.05071 12.5802 11.6863 12.159 7.07914 8.25985 numMergedOcc 0
14 mol 232 unq 1 iso 0 dist 7.83422 9.67243 12.3471 9.60401 9.05071 12.5802 12.0387 8.36223 9.26998 9.27788 numMergedOcc 0
15 mol 237 unq 0 iso 0 dist 8.42502 9.33231 3.68966 10.0582 9.20822 10.9392 14.486 12.5736 16.0493 9.7255 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.11072 9.82713 8.87313 9.85454 9.85289 11.8311 13.1593 5.14522 10.0415 9.83622 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.76945 9.1471 3.96271 7.19628 9.65934 13.0643 7.84189 5.39801 9.30266 5.30118 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 7.76945 7.84189 5.39801 5.25853 8.91712 10.1296 9.1471 3.96271 9.30266 9.18744 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.76945 9.1471 3.96271 7.19628 9.65934 13.0643 7.84189 5.39801 9.30266 5.30118 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 7.76945 7.84189 5.39801 5.25853 8.91712 10.1296 9.1471 3.96271 9.30266 9.18744 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.76945 9.1471 3.96271 7.19628 9.65934 13.0643 7.84189 5.39801 9.30266 5.30118 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 7.76945 7.84189 5.39801 5.25853 8.91712 10.1296 9.1471 3.96271 9.30266 9.18744 numMergedOcc 0
