0 mol 30 unq 0 iso 0 dist 6.30807 5.8083 7.45133 11.2046 7.2159 12.8622 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.30807 5.8083 7.45133 8.40606 8.93093 7.62878 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 7.489 8.79391 8.80149 6.74356 7.7568 5.44092 numMergedOcc 0
3 mol 37 unq 1 iso 0 dist 7.489 6.18594 8.26833 6.74356 7.7568 5.12933 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.49676 12.2047 7.88321 10.8777 9.68539 4.89559 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 5.78968 6.52334 8.58588 4.72428 9.3913 9.84642 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.04648 15.069 7.88704 10.9906 7.80113 11.1337 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 9.04648 5.04995 9.54782 10.9906 7.80113 14.3925 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.52947 8.7353 8.55124 5.38184 7.62629 5.87063 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.84466 13.0411 8.55124 13.2527 7.62629 5.87063 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 5.36955 6.98012 9.71431 4.65265 5.43052 9.44492 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 8.94096 5.63272 8.08406 8.83313 7.81335 4.90131 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 7.64207 5.63272 5.73579 8.83313 7.63333 4.90131 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.65932 7.39982 6.29817 10.5926 6.95914 5.65741 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.70772 6.56535 9.80939 4.93601 5.82034 8.27445 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 5.03663 5.25201 9.80939 6.64765 5.82034 8.27445 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 8.93916 8.29623 9.80939 12.1565 5.82034 8.27445 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 6.83539 12.0772 7.86364 8.16509 7.0795 5.29135 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 9.61454 7.46421 8.52954 4.99819 6.44932 7.34151 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 9.36652 15.6445 8.88264 8.84757 9.71499 13.594 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 7.54613 11.974 8.88264 6.28363 9.71499 13.594 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.62592 5.06393 6.41167 12.3393 9.4886 7.55896 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.98579 7.45625 7.67032 7.68028 4.75866 10.8666 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 8.28068 5.72409 5.96202 5.08363 8.80418 5.2842 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 8.88961 7.5022 6.33332 7.11058 5.27236 5.62438 numMergedOcc 0
