0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 8.55371 5.47769 6.2983 8.8641 6.92781 5.05803 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.76968 4.2139 6.31718 8.55371 5.47769 6.2983 13.862 5.32694 10.9143 6.58035 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 9.76968 12.1754 7.63133 8.55371 5.47769 5.94084 8.8641 6.92781 12.5273 7.03948 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 9.76968 12.1754 7.63133 8.55371 5.47769 5.94084 13.862 5.32694 5.46498 6.58035 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.88695 5.3315 8.34347 6.66387 9.16962 11.887 14.5062 13.2136 18.9645 8.82012 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 9.01612 5.35073 6.86465 8.63333 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 10.3132 8.62958 10.3224 6.46761 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 16.5848 14.176 15.4557 9.73139 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.99491 4.96726 9.67592 6.84612 8.68586 5.3948 13.8335 10.6748 14.5656 9.54144 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.2377 4.99283 5.93252 12.6436 5.64598 9.77992 14.7651 7.4697 13.1662 8.70133 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.2377 4.99283 5.93252 12.6436 5.64598 9.77992 12.864 5.7113 11.379 4.65521 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.18305 4.69583 6.19304 4.31731 4.65521 7.41074 11.0671 5.4148 9.96396 8.70133 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.18305 4.69583 6.19304 4.31731 4.65521 7.41074 9.43662 5.7113 11.4799 5.64598 numMergedOcc 0
13 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 8.91765 5.15851 10.0425 14.747 9.02771 11.673 6.33365 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 6.95595 10.309 8.56639 8.91765 5.15851 11.8774 14.747 9.02771 15.657 6.33365 numMergedOcc 0
15 mol 75 unq 2 iso 0 dist 6.95595 5.80162 8.59017 8.91765 5.15851 10.0372 14.747 9.02771 15.872 6.33365 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 5.49138 5.87358 9.46098 11.4135 4.98336 13.4572 9.20981 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 9.44713 4.1386 7.35754 9.39191 8.68821 5.33327 14.3625 8.66412 10.473 7.12609 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 9.81097 8.66155 11.3902 12.5189 7.69052 13.8473 9.66954 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 9.81097 8.66155 6.09023 12.5189 7.69052 9.33865 9.66954 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 9.81097 8.66155 4.61908 12.5189 7.69052 6.11741 9.66954 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 4.56139 7.75534 7.01257 11.9998 7.12167 12.1593 9.06011 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 6.53156 6.89257 8.84655 10.792 6.83397 13.7544 6.79146 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 5.49877 3.96103 8.70949 6.53156 6.89257 8.84655 9.72083 7.50049 13.572 7.66168 numMergedOcc 0
24 mol 130 unq 2 iso 0 dist 5.49877 3.96103 8.70949 4.72188 8.74308 6.76754 9.72083 7.50049 13.572 9.12581 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 10.4432 6.63273 7.12972 8.6243 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.27009 8.79571 5.41704 9.60411 5.49782 6.37586 5.42582 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 6.27009 8.79571 5.41704 14.0674 8.80819 6.49416 8.6355 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 6.27009 8.79571 6.17103 9.60411 5.49782 9.71307 5.42582 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 9.92932 6.20443 9.86662 6.27009 8.79571 6.17103 14.0674 8.80819 12.5075 8.6355 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 6.27009 5.42582 5.41704 9.92932 5.49782 8.94367 8.79571 numMergedOcc 0
31 mol 134 unq 5 iso 0 dist 9.60411 10.5108 6.37586 6.27009 5.42582 5.41704 14.0674 5.00817 6.49416 8.6355 numMergedOcc 0
32 mol 134 unq 6 iso 0 dist 9.60411 6.20443 9.71307 6.27009 5.42582 6.17103 9.92932 5.49782 9.86662 8.79571 numMergedOcc 0
33 mol 134 unq 7 iso 0 dist 9.60411 6.20443 9.71307 6.27009 5.42582 6.17103 14.0674 5.00817 12.5075 8.6355 numMergedOcc 0
34 mol 134 unq 8 iso 0 dist 9.55556 11.9294 8.94367 10.2625 8.79571 5.41704 12.1043 5.49782 6.37586 5.42582 numMergedOcc 0
35 mol 134 unq 9 iso 0 dist 9.55556 11.9294 8.94367 10.2625 8.79571 5.41704 16.0579 8.80819 6.49416 8.6355 numMergedOcc 0
36 mol 134 unq 10 iso 0 dist 9.55556 6.36794 9.86662 10.2625 8.79571 6.17103 12.1043 5.49782 9.71307 5.42582 numMergedOcc 0
37 mol 134 unq 11 iso 0 dist 9.55556 6.36794 9.86662 10.2625 8.79571 6.17103 16.0579 8.80819 12.5075 8.6355 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 5.10076 7.16254 6.3845 10.6879 5.71071 7.46303 9.14392 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 6.7973 5.01118 6.23493 9.64056 9.86313 5.86939 10.6879 5.71071 7.46303 7.51198 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 15.442 7.85175 11.216 12.3151 5.88703 6.56247 6.25105 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 15.442 7.85175 11.4315 12.3151 5.88703 9.36357 6.25105 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 12.8963 9.85037 11.9862 9.43058 numMergedOcc 0
43 mol 235 unq 1 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 17.4969 13.6669 15.2592 8.75735 numMergedOcc 0
44 mol 235 unq 2 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 20.3048 16.4493 15.3051 6.98084 numMergedOcc 0
45 mol 235 unq 3 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 22.1086 15.4 16.4776 7.32211 numMergedOcc 0
46 mol 235 unq 4 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 11.3151 9.85037 11.9862 9.43058 numMergedOcc 0
47 mol 235 unq 5 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 12.206 13.6669 15.2592 8.75735 numMergedOcc 0
48 mol 235 unq 6 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 10.3464 16.4493 15.3051 6.98084 numMergedOcc 0
49 mol 235 unq 7 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 9.4144 15.4 16.4776 7.32211 numMergedOcc 0
50 mol 236 unq 0 iso 0 dist 8.90987 5.26654 8.03456 14.3961 7.17676 11.8759 11.2664 7.28249 9.81562 5.34718 numMergedOcc 0
51 mol 236 unq 1 iso 0 dist 8.90987 3.82437 6.84306 14.3961 7.17676 11.3552 11.2664 7.28249 7.68742 5.34718 numMergedOcc 0
52 mol 236 unq 2 iso 0 dist 8.90987 13.8124 9.99038 14.3961 7.17676 6.04825 11.2664 7.28249 6.27581 5.34718 numMergedOcc 0
53 mol 236 unq 3 iso 0 dist 8.90987 11.2846 9.78037 14.3961 7.17676 12.6468 11.2664 7.28249 13.499 5.34718 numMergedOcc 0
54 mol 236 unq 4 iso 0 dist 8.90987 16.8883 8.35971 14.3961 7.17676 6.40312 11.2664 7.28249 11.2141 5.34718 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 9.13537 10.3859 6.57393 6.16476 5.38637 6.20606 9.01016 5.42006 11.101 6.55759 numMergedOcc 0
56 mol 238 unq 1 iso 0 dist 9.66555 12.2428 6.22714 8.92175 7.49471 5.17471 11.6545 5.34096 7.31233 7.19008 numMergedOcc 0
57 mol 238 unq 2 iso 0 dist 8.67205 8.66185 6.22714 5.94371 7.49471 5.17471 11.1363 5.34096 7.31233 7.19008 numMergedOcc 0
58 mol 249 unq 0 iso 0 dist 6.37672 9.07501 7.57994 10.4294 8.83735 5.23473 12.8391 8.34718 11.7594 8.96876 numMergedOcc 0
59 mol 249 unq 1 iso 0 dist 6.37672 4.24014 6.18582 10.4294 8.83735 7.38675 12.8391 8.34718 12.2913 8.96876 numMergedOcc 0
60 mol 249 unq 2 iso 0 dist 8.94023 9.53929 7.57994 9.10124 8.83735 5.23473 12.9036 8.34718 11.7594 8.96876 numMergedOcc 0
61 mol 249 unq 3 iso 0 dist 8.94023 5.36989 6.18582 9.10124 8.83735 7.38675 12.9036 8.34718 12.2913 8.96876 numMergedOcc 0
62 mol 256 unq 0 iso 0 dist 7.67598 8.99993 8.29103 9.40096 5.24676 4.22352 16.8309 9.92128 11.4761 8.09363 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 10.5892 12.5353 12.0576 7.48005 numMergedOcc 0
64 mol 272 unq 0 iso 0 dist 9.96394 11.5918 8.33638 5.98845 6.73206 5.63139 13.3211 5.40809 8.46116 9.09992 numMergedOcc 0
