0 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 6.35048 9.83618 10.4442 12.266 5.41726 6.6263 13.07 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 12.266 5.41726 6.75943 13.07 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 5.49138 5.87358 9.46098 9.94704 5.00433 8.52024 9.74008 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 9.81097 8.66155 11.3902 6.31773 5.03039 6.04595 13.0432 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 9.81097 8.66155 6.09023 9.5681 6.01673 6.24825 10.8109 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 5.46352 6.99777 10.8292 9.47795 6.07067 6.39384 12.9982 numMergedOcc 0
6 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 10.1017 9.14376 6.12943 9.47795 6.07067 6.39384 10.7985 numMergedOcc 0
7 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 16.4805 11.835 7.69765 16.7897 numMergedOcc 0
8 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 9.47795 6.07067 9.42082 12.9982 numMergedOcc 0
9 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 16.4805 11.835 7.69765 12.0921 numMergedOcc 0
10 mol 115 unq 7 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 9.47795 6.07067 9.42082 10.7985 numMergedOcc 0
11 mol 115 unq 8 iso 0 dist 7.95871 4.86477 6.11741 10.3995 6.99777 10.8292 9.29473 6.07067 6.39384 12.9982 numMergedOcc 0
12 mol 115 unq 9 iso 0 dist 7.95871 4.86477 6.11741 9.81323 9.14376 6.12943 9.29473 6.07067 6.39384 10.7985 numMergedOcc 0
13 mol 115 unq 10 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 17.9091 11.835 7.69765 16.7897 numMergedOcc 0
14 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 9.29473 6.07067 9.42082 12.9982 numMergedOcc 0
15 mol 115 unq 12 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 17.9091 11.835 7.69765 12.0921 numMergedOcc 0
16 mol 115 unq 13 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 9.29473 6.07067 9.42082 10.7985 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 6.53156 6.89257 8.84655 5.82945 4.97996 6.93139 10.1252 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 5.49877 3.96103 8.70949 4.72188 8.74308 6.76754 5.82945 4.97996 6.93139 10.5067 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 13.1452 15.0115 8.77023 16.243 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.27009 8.79571 5.41704 12.3555 7.41373 9.33094 11.7151 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 6.27009 8.79571 6.17103 14.5777 12.8086 9.1998 14.0978 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 6.27009 8.79571 6.17103 12.3555 7.41373 8.69531 11.7151 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 6.27009 5.42582 5.41704 12.3555 10.8635 9.33094 11.7151 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 9.60411 6.20443 9.71307 6.27009 5.42582 6.17103 14.5777 15.0225 9.1998 14.0978 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 6.27009 5.42582 6.17103 12.3555 10.8635 8.69531 11.7151 numMergedOcc 0
26 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 10.2625 8.79571 5.41704 8.78303 7.41373 9.33094 11.7151 numMergedOcc 0
27 mol 134 unq 7 iso 0 dist 9.55556 6.36794 9.86662 10.2625 8.79571 6.17103 10.6236 12.8086 9.1998 14.0978 numMergedOcc 0
28 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 10.2625 8.79571 6.17103 8.78303 7.41373 8.69531 11.7151 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 6.51591 9.13561 5.99333 12.0918 5.39112 6.59889 10.5081 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 6.51591 9.13561 5.99333 11.756 4.84714 8.9192 12.0501 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 12.0918 5.39112 6.70693 10.5081 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 5.78005 6.82208 12.2813 15.2698 6.84862 5.56538 11.8745 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 5.78005 6.82208 12.2813 16.9252 9.53117 7.48954 12.9858 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 7.90095 6.87664 7.12232 6.32334 7.05804 8.79428 10.8888 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 8.39002 6.51315 5.78342 7.90095 6.87664 5.3621 6.32334 7.05804 6.8692 10.8888 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.66555 12.2428 6.22714 8.92175 7.49471 5.17471 12.6412 12.7938 9.08509 5.43613 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 8.67205 8.66185 6.22714 5.94371 7.49471 5.17471 9.72795 12.7938 9.08509 5.43613 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 10.7775 4.04513 8.03219 8.84648 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 4.95855 7.09907 6.9899 6.23661 numMergedOcc 0
