0 mol 54 unq 0 iso 0 dist 7.62814 14.9303 9.03391 6.57199 8.75957 11.5435 numMergedOcc 0
1 mol 101 unq 0 iso 0 dist 6.54699 11.1618 8.35515 9.70552 9.44645 7.83985 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 9.5434 7.6114 7.68537 9.38204 6.07633 6.34242 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 8.0933 10.2464 8.53618 11.011 7.30244 12.1983 numMergedOcc 0
4 mol 135 unq 0 iso 0 dist 6.63808 6.03033 9.94534 11.5311 7.02963 11.52 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 4.93944 11.2477 6.50336 14.0112 9.59109 7.64948 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 4.68068 7.04473 8.40257 4.29509 7.20362 6.05893 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.10869 3.81023 7.6077 5.81919 4.51777 8.00091 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 7.10869 3.81023 7.6077 7.35345 4.9606 9.86823 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.62945 5.44077 6.24036 5.96605 5.25762 4.47395 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 6.10013 6.6036 6.17074 12.9817 9.9042 8.68853 numMergedOcc 0
11 mol 193 unq 1 iso 0 dist 6.10013 6.6036 6.17074 10.7013 6.21262 5.97706 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.27988 5.33564 7.74029 9.83112 5.59832 11.9538 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.27988 5.33564 7.74029 11.5821 9.17562 10.5686 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 9.76634 5.18671 9.85661 6.84952 8.09181 4.60275 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 5.35362 6.87868 9.94661 10.7651 9.9444 14.275 numMergedOcc 0
16 mol 278 unq 1 iso 0 dist 5.35362 6.87868 9.94661 7.41736 8.1769 11.3687 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.29668 6.29848 5.50067 7.65493 8.58427 5.13166 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.29668 6.29848 5.50067 7.65493 8.58427 5.13166 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.29668 6.29848 5.50067 7.65493 8.58427 5.13166 numMergedOcc 0
