0 mol 42 unq 0 iso 0 dist 9.02961 8.19603 5.06225 5.65148 10.2598 6.98046 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 9.1065 6.30721 4.83252 5.47742 12.8274 8.52615 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.2309 8.71627 4.68683 8.3355 7.78321 9.70189 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 5.88647 7.95972 10.2335 5.94737 10.9109 8.59747 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 8.32077 6.64613 10.6036 9.50524 16.7647 7.38914 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.87576 9.6785 6.45112 14.2288 14.8692 8.87941 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.08772 6.30786 4.82453 11.9308 11.518 6.98849 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 9.64202 6.30786 5.17835 11.9308 7.45683 6.98849 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.07957 9.59094 9.65497 15.9809 19.2664 9.94276 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 8.07957 9.59094 9.65497 16.8354 17.5504 9.05357 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 8.07957 9.59094 9.65497 9.0998 13.2891 5.99299 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.42569 4.87879 4.72977 5.24231 10.2207 6.4218 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 7.60901 6.76614 4.72977 6.43974 10.2207 6.4218 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 9.69499 9.7944 5.36419 6.60552 7.79467 5.63811 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 9.69499 9.7944 5.36419 11.7922 11.7363 7.49546 numMergedOcc 0
15 mol 228 unq 0 iso 0 dist 9.74392 9.79291 13.9262 6.50793 13.8008 7.09766 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 6.35728 7.54327 9.90298 9.68695 10.435 8.49841 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.46142 8.91763 9.95362 14.6519 14.8944 6.5772 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 6.53411 9.3099 6.85541 16.0659 14.8944 8.70193 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 8.17022 9.16587 7.38226 7.38711 9.1021 6.03988 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 9.97011 6.27189 9.40847 5.34124 11.1106 6.75716 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.88613 8.8896 13.6692 11.6682 15.4875 8.49866 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 9.91042 7.86196 7.47947 12.784 12.9052 7.72845 numMergedOcc 0
