0 mol 2 unq 0 iso 0 dist 6.52386 15.1719 9.53758 11.3269 9.57674 17.4203 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 7.09907 5.9625 9.79054 8.92676 7.72343 10.1131 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.77374 9.30196 6.0323 4.01354 5.27578 9.89662 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.57437 13.63 8.85869 4.01354 8.94586 14.9956 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.18109 5.02379 6.17472 5.80438 6.40741 6.10716 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 9.18109 5.02379 6.17472 4.49056 9.31366 5.61463 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.85573 10.1746 9.53901 9.64095 7.42925 13.4307 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.21423 9.23503 9.53901 4.83412 7.42925 13.4307 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 8.55031 11.9729 8.16059 5.65462 9.81193 9.61868 numMergedOcc 0
9 mol 52 unq 0 iso 0 dist 8.73526 11.8585 8.38301 4.76385 9.89706 14.1831 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 9.67403 16.6923 9.94756 17.1697 9.32664 14.4038 numMergedOcc 0
11 mol 61 unq 1 iso 0 dist 7.28917 4.16192 9.94756 10.4547 9.32664 14.4038 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.87177 12.5066 9.94312 4.53047 7.45801 9.37655 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 9.87177 12.5066 9.94312 14.8438 5.30477 10.1715 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.70925 4.71695 9.94312 7.05537 7.45801 9.37655 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 6.70925 4.71695 9.94312 7.25285 5.30477 10.1715 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 8.31624 10.0626 7.23435 6.68853 9.71873 13.3681 numMergedOcc 0
17 mol 73 unq 5 iso 0 dist 5.68726 9.08204 7.23435 4.79924 9.71873 13.3681 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 7.46882 6.44802 7.23435 9.80492 9.71873 13.3681 numMergedOcc 0
19 mol 73 unq 7 iso 0 dist 8.95756 7.02797 9.94312 11.9468 7.45801 9.37655 numMergedOcc 0
20 mol 73 unq 8 iso 0 dist 8.95756 7.02797 9.94312 5.90782 5.30477 10.1715 numMergedOcc 0
21 mol 89 unq 0 iso 0 dist 7.24906 10.1588 9.14778 8.8602 9.67681 7.88685 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 9.93688 13.3114 4.85152 11.6798 7.2131 5.47738 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 9.93688 13.3114 4.85152 12.656 7.44343 4.665 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 9.88184 13.3931 4.85152 11.0631 7.2131 5.47738 numMergedOcc 0
25 mol 92 unq 3 iso 0 dist 9.88184 13.3931 4.85152 14.9487 7.44343 4.665 numMergedOcc 0
26 mol 108 unq 0 iso 0 dist 9.82453 10.5469 7.58484 13.9156 8.06774 5.83671 numMergedOcc 0
27 mol 112 unq 0 iso 0 dist 6.30128 10.8208 9.17909 12.1893 9.75656 5.27499 numMergedOcc 0
28 mol 112 unq 1 iso 0 dist 6.30128 4.59061 9.37708 12.1893 9.75656 16.6573 numMergedOcc 0
29 mol 124 unq 0 iso 0 dist 7.83509 8.00585 5.61764 7.34966 8.18186 4.26006 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 8.89412 10.3282 7.8034 7.25148 9.39811 11.5898 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 6.95914 3.80626 8.51265 13.2639 7.35385 13.1683 numMergedOcc 0
32 mol 141 unq 1 iso 0 dist 6.95914 3.80626 8.51265 10.9097 8.35864 9.00056 numMergedOcc 0
33 mol 152 unq 0 iso 0 dist 9.76275 9.43849 7.99446 13.5286 9.62138 5.8155 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 4.96259 6.6215 5.77393 3.97538 5.67112 9.86163 numMergedOcc 0
35 mol 183 unq 0 iso 0 dist 9.92635 15.7519 9.81282 8.96895 5.5781 10.6499 numMergedOcc 0
36 mol 183 unq 1 iso 0 dist 7.85507 15.2905 9.81282 6.57004 5.5781 10.6499 numMergedOcc 0
37 mol 185 unq 0 iso 0 dist 5.40655 8.51 6.11382 6.26644 8.56136 13.85 numMergedOcc 0
38 mol 192 unq 0 iso 0 dist 7.252 9.99333 7.72242 10.02 8.96522 10.6772 numMergedOcc 0
39 mol 192 unq 1 iso 0 dist 7.252 9.99333 7.72242 7.02086 7.04366 4.71967 numMergedOcc 0
40 mol 192 unq 2 iso 0 dist 7.252 9.99333 7.72242 11.153 9.99783 6.75301 numMergedOcc 0
41 mol 219 unq 0 iso 0 dist 9.52151 6.28221 7.98941 12.6614 9.30312 14.1483 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 6.11539 5.99119 7.33708 9.74489 6.67239 5.65837 numMergedOcc 0
43 mol 232 unq 1 iso 0 dist 6.11539 5.99119 7.33708 6.70882 6.23146 4.82887 numMergedOcc 0
44 mol 232 unq 2 iso 0 dist 6.11539 5.10642 4.46314 9.74489 6.67239 10.7624 numMergedOcc 0
45 mol 232 unq 3 iso 0 dist 6.11539 5.10642 4.46314 6.70882 6.23146 8.15893 numMergedOcc 0
46 mol 232 unq 4 iso 0 dist 9.71082 14.9027 7.33708 16.2642 6.67239 5.65837 numMergedOcc 0
47 mol 232 unq 5 iso 0 dist 9.71082 14.9027 7.33708 14.3107 6.23146 4.82887 numMergedOcc 0
48 mol 232 unq 6 iso 0 dist 9.71082 6.19573 4.46314 16.2642 6.67239 10.7624 numMergedOcc 0
49 mol 232 unq 7 iso 0 dist 9.71082 6.19573 4.46314 14.3107 6.23146 8.15893 numMergedOcc 0
50 mol 243 unq 0 iso 0 dist 8.89116 3.69457 9.60437 7.31632 5.98438 6.23992 numMergedOcc 0
51 mol 243 unq 1 iso 0 dist 8.28364 9.10714 9.60437 10.9686 5.98438 6.23992 numMergedOcc 0
52 mol 256 unq 0 iso 0 dist 9.37687 4.19031 8.11884 15.2988 7.40057 12.3321 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 5.98006 7.8775 9.16791 5.61261 9.69025 13.1939 numMergedOcc 0
54 mol 265 unq 0 iso 0 dist 6.98812 7.40176 8.19772 10.7881 7.49913 11.7401 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 8.14634 10.518 8.16746 5.15747 9.02661 6.84952 numMergedOcc 0
