0 mol 10 unq 0 iso 0 dist 9.09758 10.1382 5.40169 15.717 7.71365 8.38836 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.67696 11.9066 9.69752 14.9294 10.025 9.38831 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.45854 5.06651 8.29345 10.078 5.8102 7.39754 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.45854 5.06651 8.29345 13.7568 9.98219 9.01011 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.29701 3.74136 7.62611 8.21739 11.4196 5.51624 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.29701 3.74136 7.62611 4.78377 8.05783 7.8674 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.82036 8.69165 6.76575 6.20301 10.9279 9.92553 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.9967 14.2635 8.50562 19.1238 10.9757 7.76594 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.41084 14.9542 9.78667 14.8744 9.21506 8.93453 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.93424 5.44816 6.73983 6.04112 4.38393 8.93453 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 6.8891 5.44816 7.64956 6.04112 6.06881 8.93453 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.6094 5.78019 7.25644 11.3734 15.9875 9.23528 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 9.70579 7.70253 7.25644 14.423 15.9875 9.23528 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 8.514 9.29701 7.25644 14.6565 15.9875 9.23528 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.77211 7.74227 7.02575 14.8328 9.6472 8.12349 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 7.06538 10.5008 8.43187 14.9673 10.6169 5.44396 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 7.06538 10.5008 8.43187 11.0663 5.56664 6.22972 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.71806 5.5201 6.37788 10.264 5.92931 5.52678 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.71806 6.55595 8.7028 10.264 5.92931 9.81666 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.00354 9.53753 8.20162 10.6803 6.59663 6.53728 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 8.35637 9.34602 7.39391 17.5211 12.0545 8.55481 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.75324 10.2178 7.99521 13.7605 7.16782 8.3149 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 10.2144 11.5512 5.74568 numMergedOcc 0
