0 mol 43 unq 0 iso 0 dist 9.74445 8.75469 8.03754 10.323 8.80331 14.0204 14.445 6.20293 13.1056 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 9.74445 8.75469 8.03754 14.445 6.20293 13.1056 10.323 8.80331 14.0204 8.13395 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 5.83937 7.3676 7.15352 6.62193 6.65595 9.28444 10.9885 9.25011 11.0491 4.73512 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 5.83937 7.3676 7.15352 10.9885 9.25011 11.0491 6.62193 6.65595 9.28444 4.73512 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 5.83937 7.3676 7.15352 6.62193 6.65595 9.28444 9.96073 6.43294 4.80738 10.6819 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 5.83937 7.3676 7.15352 9.96073 6.43294 4.80738 6.62193 6.65595 9.28444 10.6819 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 5.83937 7.3676 7.15352 6.62193 6.65595 9.28444 11.2445 8.52121 6.28337 8.93946 numMergedOcc 0
7 mol 60 unq 2 iso 1 dist 5.83937 7.3676 7.15352 11.2445 8.52121 6.28337 6.62193 6.65595 9.28444 8.93946 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 5.83937 7.3676 7.15352 10.9885 9.25011 11.0491 9.96073 6.43294 4.80738 11.3621 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 5.83937 7.3676 7.15352 9.96073 6.43294 4.80738 10.9885 9.25011 11.0491 11.3621 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 5.83937 7.3676 7.15352 10.9885 9.25011 11.0491 11.2445 8.52121 6.28337 7.66664 numMergedOcc 0
11 mol 60 unq 2 iso 1 dist 5.83937 7.3676 7.15352 11.2445 8.52121 6.28337 10.9885 9.25011 11.0491 7.66664 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 5.83937 7.3676 7.15352 9.96073 6.43294 4.80738 11.2445 8.52121 6.28337 5.51199 numMergedOcc 0
13 mol 60 unq 2 iso 1 dist 5.83937 7.3676 7.15352 11.2445 8.52121 6.28337 9.96073 6.43294 4.80738 5.51199 numMergedOcc 0
14 mol 60 unq 3 iso 0 dist 8.82095 13.8836 7.15352 5.63638 6.65595 9.28444 5.95814 9.25011 11.0491 4.73512 numMergedOcc 0
15 mol 60 unq 3 iso 1 dist 8.82095 13.8836 7.15352 5.95814 9.25011 11.0491 5.63638 6.65595 9.28444 4.73512 numMergedOcc 0
16 mol 60 unq 4 iso 0 dist 8.82095 13.8836 7.15352 5.63638 6.65595 9.28444 13.6099 6.43294 4.80738 10.6819 numMergedOcc 0
17 mol 60 unq 4 iso 1 dist 8.82095 13.8836 7.15352 13.6099 6.43294 4.80738 5.63638 6.65595 9.28444 10.6819 numMergedOcc 0
18 mol 60 unq 5 iso 0 dist 8.82095 13.8836 7.15352 5.63638 6.65595 9.28444 12.0142 8.52121 6.28337 8.93946 numMergedOcc 0
19 mol 60 unq 5 iso 1 dist 8.82095 13.8836 7.15352 12.0142 8.52121 6.28337 5.63638 6.65595 9.28444 8.93946 numMergedOcc 0
20 mol 60 unq 4 iso 0 dist 8.82095 13.8836 7.15352 5.95814 9.25011 11.0491 13.6099 6.43294 4.80738 11.3621 numMergedOcc 0
21 mol 60 unq 4 iso 1 dist 8.82095 13.8836 7.15352 13.6099 6.43294 4.80738 5.95814 9.25011 11.0491 11.3621 numMergedOcc 0
22 mol 60 unq 5 iso 0 dist 8.82095 13.8836 7.15352 5.95814 9.25011 11.0491 12.0142 8.52121 6.28337 7.66664 numMergedOcc 0
23 mol 60 unq 5 iso 1 dist 8.82095 13.8836 7.15352 12.0142 8.52121 6.28337 5.95814 9.25011 11.0491 7.66664 numMergedOcc 0
24 mol 60 unq 5 iso 0 dist 8.82095 13.8836 7.15352 13.6099 6.43294 4.80738 12.0142 8.52121 6.28337 5.51199 numMergedOcc 0
25 mol 60 unq 5 iso 1 dist 8.82095 13.8836 7.15352 12.0142 8.52121 6.28337 13.6099 6.43294 4.80738 5.51199 numMergedOcc 0
26 mol 61 unq 0 iso 0 dist 9.62468 12.9303 8.44473 10.7369 6.65721 11.2947 11.5608 6.72123 4.78811 6.86346 numMergedOcc 0
27 mol 61 unq 0 iso 1 dist 9.62468 12.9303 8.44473 11.5608 6.72123 4.78811 10.7369 6.65721 11.2947 6.86346 numMergedOcc 0
28 mol 61 unq 1 iso 0 dist 5.92705 13.2942 8.44473 5.4671 6.65721 11.2947 10.1513 6.72123 4.78811 6.86346 numMergedOcc 0
29 mol 61 unq 1 iso 1 dist 5.92705 13.2942 8.44473 10.1513 6.72123 4.78811 5.4671 6.65721 11.2947 6.86346 numMergedOcc 0
30 mol 73 unq 0 iso 0 dist 6.89722 7.92924 7.23812 10.4716 9.96396 12.8453 5.2774 6.19304 9.59988 5.4148 numMergedOcc 0
31 mol 73 unq 0 iso 1 dist 6.89722 7.92924 7.23812 5.2774 6.19304 9.59988 10.4716 9.96396 12.8453 5.4148 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 6.89722 7.92924 7.23812 10.4716 9.96396 12.8453 13.9156 8.70481 7.80518 14.9342 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 6.89722 7.92924 7.23812 13.9156 8.70481 7.80518 10.4716 9.96396 12.8453 14.9342 numMergedOcc 0
34 mol 73 unq 1 iso 0 dist 6.89722 7.92924 7.23812 5.2774 6.19304 9.59988 13.9156 8.70481 7.80518 13.3558 numMergedOcc 0
35 mol 73 unq 1 iso 1 dist 6.89722 7.92924 7.23812 13.9156 8.70481 7.80518 5.2774 6.19304 9.59988 13.3558 numMergedOcc 0
36 mol 73 unq 2 iso 0 dist 7.26679 5.4653 7.23812 8.31041 9.96396 12.8453 5.44275 6.19304 9.59988 5.4148 numMergedOcc 0
37 mol 73 unq 2 iso 1 dist 7.26679 5.4653 7.23812 5.44275 6.19304 9.59988 8.31041 9.96396 12.8453 5.4148 numMergedOcc 0
38 mol 73 unq 3 iso 0 dist 7.26679 5.4653 7.23812 8.31041 9.96396 12.8453 11.2674 8.70481 7.80518 14.9342 numMergedOcc 0
39 mol 73 unq 3 iso 1 dist 7.26679 5.4653 7.23812 11.2674 8.70481 7.80518 8.31041 9.96396 12.8453 14.9342 numMergedOcc 0
40 mol 73 unq 3 iso 0 dist 7.26679 5.4653 7.23812 5.44275 6.19304 9.59988 11.2674 8.70481 7.80518 13.3558 numMergedOcc 0
41 mol 73 unq 3 iso 1 dist 7.26679 5.4653 7.23812 11.2674 8.70481 7.80518 5.44275 6.19304 9.59988 13.3558 numMergedOcc 0
42 mol 112 unq 0 iso 0 dist 6.85381 5.46269 9.90769 12.5148 9.60462 13.4578 6.38057 7.45389 6.69178 7.05226 numMergedOcc 0
43 mol 112 unq 0 iso 1 dist 6.85381 5.46269 9.90769 6.38057 7.45389 6.69178 12.5148 9.60462 13.4578 7.05226 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 9.10619 7.53439 8.41774 9.66339 8.56324 13.1435 13.9994 6.70283 13.793 7.65448 numMergedOcc 0
45 mol 152 unq 0 iso 1 dist 9.10619 7.53439 8.41774 13.9994 6.70283 13.793 9.66339 8.56324 13.1435 7.65448 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 9.10619 7.53439 8.41774 9.66339 8.56324 13.1435 14.2552 7.16148 11.2124 10.6875 numMergedOcc 0
47 mol 152 unq 1 iso 1 dist 9.10619 7.53439 8.41774 14.2552 7.16148 11.2124 9.66339 8.56324 13.1435 10.6875 numMergedOcc 0
48 mol 152 unq 1 iso 0 dist 9.10619 7.53439 8.41774 13.9994 6.70283 13.793 14.2552 7.16148 11.2124 5.49936 numMergedOcc 0
49 mol 152 unq 1 iso 1 dist 9.10619 7.53439 8.41774 14.2552 7.16148 11.2124 13.9994 6.70283 13.793 5.49936 numMergedOcc 0
50 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 12.2822 6.69288 14.4816 12.4338 6.43573 10.2893 5.34677 numMergedOcc 0
51 mol 178 unq 0 iso 1 dist 8.0974 11.7183 9.63185 12.4338 6.43573 10.2893 12.2822 6.69288 14.4816 5.34677 numMergedOcc 0
52 mol 178 unq 1 iso 0 dist 8.0974 11.7183 9.63185 12.2822 6.69288 14.4816 13.9722 7.17202 9.7684 11.7381 numMergedOcc 0
53 mol 178 unq 1 iso 1 dist 8.0974 11.7183 9.63185 13.9722 7.17202 9.7684 12.2822 6.69288 14.4816 11.7381 numMergedOcc 0
54 mol 178 unq 2 iso 0 dist 8.0974 11.7183 9.63185 12.2822 6.69288 14.4816 13.5599 8.81551 5.37264 14.0703 numMergedOcc 0
55 mol 178 unq 2 iso 1 dist 8.0974 11.7183 9.63185 13.5599 8.81551 5.37264 12.2822 6.69288 14.4816 14.0703 numMergedOcc 0
56 mol 178 unq 1 iso 0 dist 8.0974 11.7183 9.63185 12.4338 6.43573 10.2893 13.9722 7.17202 9.7684 9.89739 numMergedOcc 0
57 mol 178 unq 1 iso 1 dist 8.0974 11.7183 9.63185 13.9722 7.17202 9.7684 12.4338 6.43573 10.2893 9.89739 numMergedOcc 0
58 mol 178 unq 2 iso 0 dist 8.0974 11.7183 9.63185 12.4338 6.43573 10.2893 13.5599 8.81551 5.37264 10.5529 numMergedOcc 0
59 mol 178 unq 2 iso 1 dist 8.0974 11.7183 9.63185 13.5599 8.81551 5.37264 12.4338 6.43573 10.2893 10.5529 numMergedOcc 0
60 mol 178 unq 2 iso 0 dist 8.0974 11.7183 9.63185 13.9722 7.17202 9.7684 13.5599 8.81551 5.37264 5.18005 numMergedOcc 0
61 mol 178 unq 2 iso 1 dist 8.0974 11.7183 9.63185 13.5599 8.81551 5.37264 13.9722 7.17202 9.7684 5.18005 numMergedOcc 0
62 mol 205 unq 0 iso 0 dist 8.43584 13.7406 6.94789 12.4616 9.61492 6.98812 10.6123 7.45763 12.019 11.8283 numMergedOcc 0
63 mol 205 unq 0 iso 1 dist 8.43584 13.7406 6.94789 10.6123 7.45763 12.019 12.4616 9.61492 6.98812 11.8283 numMergedOcc 0
64 mol 205 unq 1 iso 0 dist 8.43584 8.05429 6.23932 12.4616 9.61492 13.4557 10.6123 7.45763 4.37383 11.8283 numMergedOcc 0
65 mol 205 unq 1 iso 1 dist 8.43584 8.05429 6.23932 10.6123 7.45763 4.37383 12.4616 9.61492 13.4557 11.8283 numMergedOcc 0
66 mol 214 unq 0 iso 0 dist 8.49704 17.1631 9.92165 12.4611 9.65138 10.1227 11.832 7.14453 6.83063 9.10746 numMergedOcc 0
67 mol 214 unq 0 iso 1 dist 8.49704 17.1631 9.92165 11.832 7.14453 6.83063 12.4611 9.65138 10.1227 9.10746 numMergedOcc 0
68 mol 214 unq 1 iso 0 dist 8.49704 17.1631 9.92165 12.4611 9.65138 10.1227 10.644 8.85478 12.7439 4.40923 numMergedOcc 0
69 mol 214 unq 1 iso 1 dist 8.49704 17.1631 9.92165 10.644 8.85478 12.7439 12.4611 9.65138 10.1227 4.40923 numMergedOcc 0
70 mol 214 unq 1 iso 0 dist 8.49704 17.1631 9.92165 11.832 7.14453 6.83063 10.644 8.85478 12.7439 11.3796 numMergedOcc 0
71 mol 214 unq 1 iso 1 dist 8.49704 17.1631 9.92165 10.644 8.85478 12.7439 11.832 7.14453 6.83063 11.3796 numMergedOcc 0
72 mol 220 unq 0 iso 0 dist 7.31105 10.1832 5.39218 14.6296 9.23153 13.3213 9.52692 8.24498 11.4842 10.5449 numMergedOcc 0
73 mol 220 unq 0 iso 1 dist 7.31105 10.1832 5.39218 9.52692 8.24498 11.4842 14.6296 9.23153 13.3213 10.5449 numMergedOcc 0
74 mol 222 unq 0 iso 0 dist 8.7347 13.6797 6.77368 8.81265 6.00706 8.47937 4.28891 7.54212 10.4837 6.8425 numMergedOcc 0
75 mol 222 unq 0 iso 1 dist 8.7347 13.6797 6.77368 4.28891 7.54212 10.4837 8.81265 6.00706 8.47937 6.8425 numMergedOcc 0
76 mol 222 unq 1 iso 0 dist 8.7347 9.50337 7.73634 8.81265 6.00706 4.81992 4.28891 7.54212 9.69122 6.8425 numMergedOcc 0
77 mol 222 unq 1 iso 1 dist 8.7347 9.50337 7.73634 4.28891 7.54212 9.69122 8.81265 6.00706 4.81992 6.8425 numMergedOcc 0
78 mol 224 unq 0 iso 0 dist 7.39839 5.8656 8.80858 7.65225 6.65832 4.46743 4.91322 6.60589 4.93626 6.77699 numMergedOcc 0
79 mol 224 unq 0 iso 1 dist 7.39839 5.8656 8.80858 4.91322 6.60589 4.93626 7.65225 6.65832 4.46743 6.77699 numMergedOcc 0
80 mol 224 unq 1 iso 0 dist 7.39839 5.8656 8.80858 7.65225 6.65832 4.46743 12.979 9.16166 11.8641 11.328 numMergedOcc 0
81 mol 224 unq 1 iso 1 dist 7.39839 5.8656 8.80858 12.979 9.16166 11.8641 7.65225 6.65832 4.46743 11.328 numMergedOcc 0
82 mol 224 unq 1 iso 0 dist 7.39839 5.8656 8.80858 4.91322 6.60589 4.93626 12.979 9.16166 11.8641 8.49799 numMergedOcc 0
83 mol 224 unq 1 iso 1 dist 7.39839 5.8656 8.80858 12.979 9.16166 11.8641 4.91322 6.60589 4.93626 8.49799 numMergedOcc 0
84 mol 249 unq 0 iso 0 dist 7.29898 10.254 6.26142 6.6173 7.57994 5.59015 8.95486 6.18582 4.77325 5.01979 numMergedOcc 0
85 mol 249 unq 0 iso 1 dist 7.29898 10.254 6.26142 8.95486 6.18582 4.77325 6.6173 7.57994 5.59015 5.01979 numMergedOcc 0
86 mol 249 unq 1 iso 0 dist 8.91685 8.81984 6.26142 5.25611 7.57994 5.59015 9.66184 6.18582 4.77325 5.01979 numMergedOcc 0
87 mol 249 unq 1 iso 1 dist 8.91685 8.81984 6.26142 9.66184 6.18582 4.77325 5.25611 7.57994 5.59015 5.01979 numMergedOcc 0
88 mol 258 unq 0 iso 0 dist 8.58088 5.27718 9.04358 10.221 6.60405 8.81588 9.22664 6.42289 5.90131 7.26417 numMergedOcc 0
89 mol 258 unq 0 iso 1 dist 8.58088 5.27718 9.04358 9.22664 6.42289 5.90131 10.221 6.60405 8.81588 7.26417 numMergedOcc 0
90 mol 282 unq 0 iso 0 dist 5.67266 8.78407 7.71088 9.63727 8.04483 5.86383 4.58403 8.76532 11.2986 10.0156 numMergedOcc 0
91 mol 282 unq 0 iso 1 dist 5.67266 8.78407 7.71088 4.58403 8.76532 11.2986 9.63727 8.04483 5.86383 10.0156 numMergedOcc 0
92 mol 282 unq 1 iso 0 dist 5.67266 8.78407 7.71088 9.63727 8.04483 5.86383 5.04235 6.33524 7.46064 5.39891 numMergedOcc 0
93 mol 282 unq 1 iso 1 dist 5.67266 8.78407 7.71088 5.04235 6.33524 7.46064 9.63727 8.04483 5.86383 5.39891 numMergedOcc 0
94 mol 282 unq 1 iso 0 dist 5.67266 8.78407 7.71088 4.58403 8.76532 11.2986 5.04235 6.33524 7.46064 4.66602 numMergedOcc 0
95 mol 282 unq 1 iso 1 dist 5.67266 8.78407 7.71088 5.04235 6.33524 7.46064 4.58403 8.76532 11.2986 4.66602 numMergedOcc 0
96 mol 282 unq 2 iso 0 dist 5.80981 5.33059 7.71088 9.60898 8.04483 5.86383 10.5698 8.76532 11.2986 10.0156 numMergedOcc 0
97 mol 282 unq 2 iso 1 dist 5.80981 5.33059 7.71088 10.5698 8.76532 11.2986 9.60898 8.04483 5.86383 10.0156 numMergedOcc 0
98 mol 282 unq 3 iso 0 dist 5.80981 5.33059 7.71088 9.60898 8.04483 5.86383 8.37652 6.33524 7.46064 5.39891 numMergedOcc 0
99 mol 282 unq 3 iso 1 dist 5.80981 5.33059 7.71088 8.37652 6.33524 7.46064 9.60898 8.04483 5.86383 5.39891 numMergedOcc 0
100 mol 282 unq 3 iso 0 dist 5.80981 5.33059 7.71088 10.5698 8.76532 11.2986 8.37652 6.33524 7.46064 4.66602 numMergedOcc 0
101 mol 282 unq 3 iso 1 dist 5.80981 5.33059 7.71088 8.37652 6.33524 7.46064 10.5698 8.76532 11.2986 4.66602 numMergedOcc 0
102 mol 282 unq 4 iso 0 dist 9.63346 9.73996 7.71088 4.85461 8.04483 5.86383 13.108 8.76532 11.2986 10.0156 numMergedOcc 0
103 mol 282 unq 4 iso 1 dist 9.63346 9.73996 7.71088 13.108 8.76532 11.2986 4.85461 8.04483 5.86383 10.0156 numMergedOcc 0
104 mol 282 unq 5 iso 0 dist 9.63346 9.73996 7.71088 4.85461 8.04483 5.86383 8.85797 6.33524 7.46064 5.39891 numMergedOcc 0
105 mol 282 unq 5 iso 1 dist 9.63346 9.73996 7.71088 8.85797 6.33524 7.46064 4.85461 8.04483 5.86383 5.39891 numMergedOcc 0
106 mol 282 unq 5 iso 0 dist 9.63346 9.73996 7.71088 13.108 8.76532 11.2986 8.85797 6.33524 7.46064 4.66602 numMergedOcc 0
107 mol 282 unq 5 iso 1 dist 9.63346 9.73996 7.71088 8.85797 6.33524 7.46064 13.108 8.76532 11.2986 4.66602 numMergedOcc 0
