0 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 4.81384 8.33604 8.27181 9.91301 8.4069 9.62879 13.3876 numMergedOcc 0
1 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
2 mol 16 unq 1 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
3 mol 16 unq 2 iso 0 dist 9.76968 12.1754 7.63133 8.55371 5.47769 5.94084 19.1237 10.4155 8.71745 12.1189 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 13.3732 5.06502 5.73819 13.5377 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 12.9363 6.45462 8.93915 13.7177 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 6.05206 9.64665 4.67832 9.01612 5.30792 6.86465 11.4118 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.36193 5.40367 6.62496 6.05206 9.64665 4.67832 4.88613 4.81926 6.35756 9.66798 numMergedOcc 0
8 mol 58 unq 2 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
9 mol 58 unq 3 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 6.36193 4.81926 6.62496 11.5023 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 10.4897 6.71911 5.33688 19.1673 12.5396 8.84665 12.8699 numMergedOcc 0
11 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 10.4897 6.71911 5.33688 14.3301 8.19458 8.25513 11.6249 numMergedOcc 0
12 mol 73 unq 0 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
13 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 4.31731 4.65521 7.41074 13.2599 13.3558 8.70481 15.9587 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 7.10144 8.66514 8.4283 11.4004 5.57085 8.31336 10.6733 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 9.72689 13.7794 9.36773 9.32959 9.25235 5.37521 11.4004 5.57085 8.31336 8.69012 numMergedOcc 0
16 mol 88 unq 2 iso 0 dist 7.74197 4.0486 9.36773 10.0278 8.66514 8.4283 7.86537 5.57085 8.31336 10.6733 numMergedOcc 0
17 mol 88 unq 3 iso 0 dist 7.74197 4.0486 9.36773 8.37153 9.25235 5.37521 7.86537 5.57085 8.31336 8.69012 numMergedOcc 0
18 mol 115 unq 0 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
19 mol 115 unq 1 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
20 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 5.46352 6.99777 10.8292 12.6493 8.02349 9.33865 13.9977 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 10.1017 9.14376 6.12943 12.6493 8.02349 9.33865 9.65429 numMergedOcc 0
22 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 14.1021 11.5723 7.30858 11.695 numMergedOcc 0
23 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 12.6493 8.02349 5.83991 13.9977 numMergedOcc 0
24 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 14.1021 11.5723 7.30858 10.0603 numMergedOcc 0
25 mol 115 unq 7 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 12.6493 8.02349 5.83991 9.65429 numMergedOcc 0
26 mol 115 unq 8 iso 0 dist 7.95871 4.86477 6.11741 10.3995 6.99777 10.8292 13.7044 8.02349 9.33865 13.9977 numMergedOcc 0
27 mol 115 unq 9 iso 0 dist 7.95871 4.86477 6.11741 9.81323 9.14376 6.12943 13.7044 8.02349 9.33865 9.65429 numMergedOcc 0
28 mol 115 unq 10 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 17.0624 11.5723 7.30858 11.695 numMergedOcc 0
29 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 13.7044 8.02349 5.83991 13.9977 numMergedOcc 0
30 mol 115 unq 12 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 17.0624 11.5723 7.30858 10.0603 numMergedOcc 0
31 mol 115 unq 13 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 13.7044 8.02349 5.83991 9.65429 numMergedOcc 0
32 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 10.2034 9.81878 4.77464 10.0998 7.30196 8.14887 11.7714 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 15.7871 10.7062 8.40312 12.5969 numMergedOcc 0
34 mol 131 unq 1 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
35 mol 131 unq 2 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 15.7871 10.7062 8.40312 13.6559 numMergedOcc 0
36 mol 131 unq 3 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 10.4432 6.63273 7.12972 12.9472 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 15.5083 11.965 6.29155 17.2931 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 11.5178 7.79672 6.80239 15.1694 numMergedOcc 0
39 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
40 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
41 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
42 mol 134 unq 3 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
43 mol 134 unq 4 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
44 mol 134 unq 5 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
45 mol 134 unq 6 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
46 mol 134 unq 7 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
47 mol 134 unq 8 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
48 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 13.1529 5.42328 5.87555 12.4808 numMergedOcc 0
49 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 12.6103 6.4896 8.67331 14.1119 numMergedOcc 0
50 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 6.51591 9.13561 7.89109 13.1529 5.42328 8.87437 12.4808 numMergedOcc 0
51 mol 152 unq 3 iso 0 dist 8.07256 8.36099 7.16148 6.51591 9.13561 7.89109 12.6103 6.4896 8.05741 14.1119 numMergedOcc 0
52 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
53 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
54 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 7.90095 6.87664 7.12232 8.46129 5.0744 6.60589 10.8259 numMergedOcc 0
55 mol 224 unq 1 iso 0 dist 8.39002 6.51315 5.78342 7.90095 6.87664 5.3621 8.46129 5.0744 9.16166 10.8259 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 7.90095 6.87664 5.3621 9.2053 5.60236 5.81334 10.2775 numMergedOcc 0
57 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 16.9465 9.5707 15.9563 12.3151 5.88703 6.56247 10.3388 numMergedOcc 0
58 mol 234 unq 1 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
59 mol 234 unq 2 iso 0 dist 7.86368 6.94762 6.7625 16.9465 9.5707 14.4106 12.3151 5.88703 9.36357 10.3388 numMergedOcc 0
60 mol 234 unq 3 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
61 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
62 mol 236 unq 1 iso 0 dist 8.90987 5.26654 8.03456 12.7435 6.68463 9.07822 11.2664 7.28249 9.81562 10.5713 numMergedOcc 0
63 mol 236 unq 2 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
64 mol 236 unq 3 iso 0 dist 8.90987 3.82437 6.84306 12.7435 6.68463 11.6837 11.2664 7.28249 7.68742 10.5713 numMergedOcc 0
65 mol 236 unq 4 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
66 mol 236 unq 5 iso 0 dist 8.90987 13.8124 9.99038 12.7435 6.68463 8.8265 11.2664 7.28249 6.27581 10.5713 numMergedOcc 0
67 mol 236 unq 6 iso 0 dist 8.90987 16.8883 8.35971 14.3961 7.17676 6.40312 15.2598 7.43758 8.04248 10.6445 numMergedOcc 0
68 mol 236 unq 7 iso 0 dist 8.90987 16.8883 8.35971 12.7435 6.68463 6.2568 15.2598 7.43758 8.04248 10.5433 numMergedOcc 0
69 mol 238 unq 0 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
70 mol 238 unq 1 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
71 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
