0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 14.9934 14.7759 9.68596 13.0969 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 13.4756 8.43188 7.685 7.05148 5.64303 8.6653 12.9735 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 13.4756 10.3635 7.685 7.05148 5.82503 8.6653 12.9735 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 11.074 10.2241 9.58673 5.84625 9.95364 8.80614 8.88332 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 11.074 7.05413 9.58673 5.84625 5.49591 8.80614 8.88332 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 10.6421 5.3525 8.24062 16.2055 9.64444 6.73347 7.0313 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 12.0315 9.35964 9.80862 9.34823 5.13589 6.73586 4.95807 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.18763 5.3154 6.18601 10.2497 10.3457 8.43904 9.34823 5.13589 6.73586 7.39626 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 9.90096 6.19596 6.91348 13.6954 14.2045 8.70296 9.93183 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 9.90096 6.19596 6.91348 10.9811 5.09131 9.25558 5.90177 numMergedOcc 0
10 mol 131 unq 2 iso 0 dist 6.31125 5.59449 6.85062 10.3644 6.6499 9.51418 13.6954 14.2045 8.70296 16.5048 numMergedOcc 0
11 mol 131 unq 3 iso 0 dist 6.31125 5.59449 6.85062 10.3644 6.6499 9.51418 10.9811 5.09131 9.25558 5.70899 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 9.19849 6.58937 8.62646 15.1236 13.0123 9.67741 7.31643 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.17129 6.7991 4.93785 12.7332 7.20191 9.39829 7.30555 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 14.2389 4.80231 6.93764 13.401 5.63555 5.9176 5.60306 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 14.2389 4.80231 6.93764 12.7332 7.20191 6.41453 6.05477 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 7.35476 12.2813 6.82208 5.89818 7.75656 7.67576 7.39748 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 7.35476 12.2813 6.82208 9.32543 16.0949 9.82371 5.08928 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 10.8785 7.60081 9.55668 13.128 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 12.9182 13.069 9.29858 20.4128 14.7883 9.24557 10.3809 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 9.77231 13.069 9.29858 16.6167 14.7883 9.24557 10.3809 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.2583 13.069 9.29858 12.6054 14.7883 9.24557 10.3809 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 11.0809 5.12409 9.0012 9.3201 5.00209 7.16853 9.76317 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 11.1852 9.67998 9.5784 9.3201 5.00209 7.16853 13.9064 numMergedOcc 0
