0 mol 7 unq 0 iso 0 dist 6.0323 7.15434 5.70161 7.29541 10.0158 5.72491 11.9621 15.5465 12.2041 7.88043 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.16345 8.21595 5.59189 5.77009 5.19692 8.7817 9.60744 7.78507 5.26258 7.55415 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.16345 9.60744 7.78507 5.77009 5.19692 7.55415 8.21595 5.59189 5.26258 8.7817 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 8.33667 15.1191 9.93832 10.615 14.445 8.13395 8.60739 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 16.0036 13.0088 8.73253 10.1112 10.4716 5.4148 7.04044 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.40844 8.124 5.44275 16.0036 10.5067 8.73253 10.1112 8.31041 5.4148 7.04044 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.99156 8.124 8.0624 16.0036 14.8476 8.73253 10.1112 11.7069 5.4148 7.04044 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.02351 8.16299 11.2674 11.9686 17.0516 8.85586 10.8051 16.9156 8.07446 5.16364 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.87856 7.00285 9.94628 10.8678 10.8121 5.88354 10.3108 14.4251 4.50554 7.89665 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.87856 7.00285 9.94628 10.8678 10.8121 5.88354 13.7866 12.1021 7.40461 5.39354 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 8.87856 7.00285 9.94628 10.8678 10.8121 5.88354 11.8527 7.53156 7.72877 5.74854 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 8.87856 7.00285 9.94628 10.8678 10.8121 5.88354 17.2653 18.4394 10.51 8.76566 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 8.87856 7.00285 9.94628 10.8678 10.8121 5.88354 19.5694 18.6256 13.5683 8.8368 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 6.2491 7.00285 5.39087 10.8678 11.2452 5.88354 10.3108 6.60298 4.50554 7.89665 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 6.2491 7.00285 5.39087 10.8678 11.2452 5.88354 13.7866 12.1193 7.40461 5.39354 numMergedOcc 0
15 mol 98 unq 7 iso 0 dist 6.2491 7.00285 5.39087 10.8678 11.2452 5.88354 11.8527 12.2431 7.72877 5.74854 numMergedOcc 0
16 mol 98 unq 8 iso 0 dist 6.2491 7.00285 5.39087 10.8678 11.2452 5.88354 17.2653 14.444 10.51 8.76566 numMergedOcc 0
17 mol 98 unq 9 iso 0 dist 6.2491 7.00285 5.39087 10.8678 11.2452 5.88354 19.5694 18.63 13.5683 8.8368 numMergedOcc 0
18 mol 98 unq 10 iso 0 dist 3.59451 8.02354 5.39087 13.5865 11.2452 5.88354 10.1372 6.60298 4.50554 7.89665 numMergedOcc 0
19 mol 98 unq 11 iso 0 dist 3.59451 8.02354 5.39087 13.5865 11.2452 5.88354 14.6816 12.1193 7.40461 5.39354 numMergedOcc 0
20 mol 98 unq 12 iso 0 dist 3.59451 8.02354 5.39087 13.5865 11.2452 5.88354 13.7128 12.2431 7.72877 5.74854 numMergedOcc 0
21 mol 98 unq 13 iso 0 dist 3.59451 8.02354 5.39087 13.5865 11.2452 5.88354 17.8475 14.444 10.51 8.76566 numMergedOcc 0
22 mol 98 unq 14 iso 0 dist 3.59451 8.02354 5.39087 13.5865 11.2452 5.88354 21.577 18.63 13.5683 8.8368 numMergedOcc 0
23 mol 98 unq 15 iso 0 dist 8.26758 6.26542 10.844 7.63357 12.9581 8.8368 13.5014 18.2133 13.5683 5.88354 numMergedOcc 0
24 mol 98 unq 16 iso 0 dist 8.26758 6.26542 10.844 7.63357 12.9581 8.8368 14.6204 20.2123 13.0697 7.89665 numMergedOcc 0
25 mol 98 unq 17 iso 0 dist 8.26758 6.26542 10.844 7.63357 12.9581 8.8368 10.0471 12.7661 8.31884 5.39354 numMergedOcc 0
26 mol 98 unq 18 iso 0 dist 8.26758 6.26542 10.844 7.63357 12.9581 8.8368 10.465 11.7472 11.569 5.74854 numMergedOcc 0
27 mol 98 unq 19 iso 0 dist 8.26758 6.26542 10.844 7.63357 12.9581 8.8368 11.3239 16.4194 6.66172 8.76566 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 11.8905 7.5344 8.86329 14.2573 11.8349 5.55373 8.71039 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 8.51265 7.34465 13.1327 7.97183 11.4006 6.69515 9.47675 10.4653 6.21253 7.86572 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 8.51265 9.47675 10.4653 7.97183 11.4006 7.86572 7.34465 13.1327 6.21253 6.69515 numMergedOcc 0
31 mol 212 unq 0 iso 0 dist 6.41916 9.47932 9.7586 14.3725 13.6617 6.29767 10.4861 8.61765 4.12932 8.57827 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 5.98076 4.851 8.31343 11.3699 11.6289 9.20961 9.89546 9.92743 6.17651 6.29367 numMergedOcc 0
33 mol 218 unq 1 iso 0 dist 5.98076 4.851 8.31343 11.3699 11.6289 9.20961 9.66527 12.0573 5.61978 5.76954 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 7.26742 12.5498 7.862 15.7704 18.9439 10.5806 9.2581 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 7.10689 8.7419 8.81265 7.26742 12.5498 7.862 12.9952 13.2004 6.9154 9.62632 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 12.2193 14.7484 7.99477 10.7821 10.221 7.26417 6.70815 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 6.59521 8.21585 9.22664 8.45446 13.7217 7.86627 10.6274 13.0489 5.30627 7.93574 numMergedOcc 0
