0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 5.66529 5.77753 6.2983 11.8413 5.38671 5.05803 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 11.958 8.33883 5.66529 5.77753 6.2983 9.59856 5.45161 6.31718 5.47769 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.17472 5.3372 6.87871 8.02212 8.82122 6.29127 13.0456 8.95909 9.24927 11.167 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.0721 6.4154 7.41074 10.1112 10.4716 9.96396 8.70133 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 10.0721 6.4154 7.41074 8.124 5.2774 6.19304 4.65521 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.84699 13.4367 6.89722 10.0721 6.4154 7.41074 19.5696 13.9156 8.70481 15.9587 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.40844 5.33851 9.68526 14.8445 9.67601 12.3103 10.1112 8.31041 9.38498 12.842 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 14.8445 9.67601 15.1106 10.1112 8.31041 9.96396 12.842 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 14.8445 9.67601 15.1106 8.124 5.44275 6.19304 13.8467 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 8.40844 13.4367 7.26679 14.8445 9.67601 15.1106 19.5696 11.2674 8.70481 13.3917 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.40844 15.7164 9.30776 14.8445 9.67601 6.04779 10.1112 8.31041 9.75218 12.842 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 7.02351 13.6586 9.68526 5.41354 9.67601 12.3103 11.0108 8.31041 9.38498 12.842 numMergedOcc 0
12 mol 73 unq 9 iso 0 dist 7.02351 10.3774 7.26679 5.41354 9.67601 15.1106 11.0108 8.31041 9.96396 12.842 numMergedOcc 0
13 mol 73 unq 10 iso 0 dist 7.02351 10.3774 7.26679 5.41354 9.67601 15.1106 10.9082 5.44275 6.19304 13.8467 numMergedOcc 0
14 mol 73 unq 11 iso 0 dist 7.02351 10.3774 7.26679 5.41354 9.67601 15.1106 8.16299 11.2674 8.70481 13.3917 numMergedOcc 0
15 mol 73 unq 12 iso 0 dist 7.02351 4.15333 9.30776 5.41354 9.67601 6.04779 11.0108 8.31041 9.75218 12.842 numMergedOcc 0
16 mol 73 unq 13 iso 0 dist 7.53504 9.64124 6.89722 13.2987 6.4154 7.41074 16.3948 10.4716 9.96396 8.70133 numMergedOcc 0
17 mol 73 unq 14 iso 0 dist 7.53504 9.64124 6.89722 13.2987 6.4154 7.41074 11.801 5.2774 6.19304 4.65521 numMergedOcc 0
18 mol 73 unq 15 iso 0 dist 7.53504 9.64124 6.89722 13.2987 6.4154 7.41074 12.2721 13.9156 8.70481 15.9587 numMergedOcc 0
19 mol 73 unq 16 iso 0 dist 8.66342 16.8585 9.68526 15.5344 9.67601 12.3103 16.3948 8.31041 9.38498 12.842 numMergedOcc 0
20 mol 73 unq 17 iso 0 dist 8.66342 9.64124 7.26679 15.5344 9.67601 15.1106 16.3948 8.31041 9.96396 12.842 numMergedOcc 0
21 mol 73 unq 18 iso 0 dist 8.66342 9.64124 7.26679 15.5344 9.67601 15.1106 11.801 5.44275 6.19304 13.8467 numMergedOcc 0
22 mol 73 unq 19 iso 0 dist 8.66342 9.64124 7.26679 15.5344 9.67601 15.1106 12.2721 11.2674 8.70481 13.3917 numMergedOcc 0
23 mol 73 unq 20 iso 0 dist 8.66342 16.0481 9.30776 15.5344 9.67601 6.04779 16.3948 8.31041 9.75218 12.842 numMergedOcc 0
24 mol 102 unq 0 iso 0 dist 7.59973 13.9809 9.80678 12.7125 9.50209 5.498 12.1389 5.54551 7.36792 9.94856 numMergedOcc 0
25 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 7.82677 8.40483 5.41882 18.0518 12.4383 8.37808 13.433 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 5.24956 6.35728 6.67959 13.6328 12.4611 9.65138 10.852 numMergedOcc 0
27 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 5.24956 6.35728 6.67959 11.6154 11.832 7.14453 12.6888 numMergedOcc 0
28 mol 214 unq 2 iso 0 dist 5.69733 5.68711 8.49704 5.24956 6.35728 6.67959 11.5105 10.644 8.85478 7.46831 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 4.78647 5.04916 7.61682 8.7419 8.81265 6.00706 10.8957 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 4.78647 5.04916 7.61682 8.5834 4.28891 7.54212 7.18956 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 4.99301 5.25583 6.56437 5.69457 8.7868 5.70973 13.0296 14.2632 8.95269 13.5141 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 6.36813 5.25583 6.23882 5.69457 4.64336 5.70973 13.0296 15.0038 8.95269 13.5141 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 7.7163 11.8217 9.34636 4.92261 8.60781 7.98696 7.07564 5.63485 8.95269 6.87664 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 7.7163 10.8463 9.79616 4.92261 8.60781 7.12232 7.07564 5.63485 6.57273 6.87664 numMergedOcc 0
35 mol 224 unq 4 iso 0 dist 7.7163 10.8463 9.79616 4.92261 8.60781 7.12232 12.0295 9.36962 6.60589 10.8259 numMergedOcc 0
36 mol 224 unq 5 iso 0 dist 9.06201 11.9904 9.34636 6.78064 8.60781 7.98696 10.9817 5.63485 8.95269 6.87664 numMergedOcc 0
37 mol 224 unq 6 iso 0 dist 9.06201 13.0574 9.79616 6.78064 8.60781 7.12232 10.9817 5.63485 6.57273 6.87664 numMergedOcc 0
38 mol 224 unq 7 iso 0 dist 9.06201 13.0574 9.79616 6.78064 8.60781 7.12232 15.8289 9.36962 6.60589 10.8259 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 10.2228 8.34104 6.43754 14.1483 16.2594 9.34734 12.4085 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 10.2228 8.34104 6.43754 12.9898 14.9329 7.22101 8.17891 numMergedOcc 0
41 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 10.2228 8.34104 6.43754 14.1659 13.2783 8.65997 6.95902 numMergedOcc 0
42 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 10.2228 8.34104 6.43754 9.8971 10.6504 7.56888 11.004 numMergedOcc 0
43 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 10.2228 8.34104 6.43754 7.71761 11.4528 7.55216 12.8864 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 5.68643 7.48637 9.91395 9.3038 9.36111 10.9108 8.78883 4.97216 9.10818 11.7787 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 9.96645 6.04536 9.696 6.13137 5.12523 6.8406 12.1604 10.7962 7.56915 11.5594 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 9.96645 6.04536 9.696 6.13137 5.12523 6.8406 11.4986 5.1874 8.49997 7.97444 numMergedOcc 0
47 mol 274 unq 3 iso 0 dist 9.2447 6.12463 9.696 5.06306 5.12523 6.8406 12.2117 10.7962 7.56915 11.5594 numMergedOcc 0
48 mol 274 unq 4 iso 0 dist 9.2447 6.12463 9.696 5.06306 5.12523 6.8406 10.1296 5.1874 8.49997 7.97444 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 7.4578 6.73204 12.6113 20.3589 13.2927 9.7748 19.8242 numMergedOcc 0
