0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 5.26458 5.99972 12.0193 10.4548 5.99459 6.88805 6.12483 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 6.84017 6.16347 9.34396 4.54526 4.79873 10.2864 5.46578 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 14.2406 7.57578 6.84017 6.16347 9.34396 16.0229 9.48085 5.18617 9.62058 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.94828 14.2406 7.57578 15.5398 7.92503 6.11127 4.54526 4.79873 10.2864 11.0175 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.94828 14.2406 7.57578 15.5398 7.92503 6.11127 16.0229 9.48085 5.18617 10.2758 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.94828 15.6642 7.17969 6.84017 6.16347 10.8498 4.54526 4.79873 11.4148 5.46578 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.94828 15.6642 7.17969 6.84017 6.16347 10.8498 16.0229 9.48085 5.68041 9.62058 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 8.94828 15.6642 7.17969 15.5398 7.92503 5.30154 4.54526 4.79873 11.4148 11.0175 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 8.94828 15.6642 7.17969 15.5398 7.92503 5.30154 16.0229 9.48085 5.68041 10.2758 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 6.18332 5.93884 5.78774 6.69301 9.22598 9.87158 5.66912 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 11.9655 9.27838 15.434 12.6194 7.12321 4.27726 14.005 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 11.9655 9.27838 11.6378 12.6194 7.12321 7.47371 14.005 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 5.04455 9.49454 13.3662 12.4753 8.27883 4.99174 15.7954 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 6.86713 10.3731 9.03572 5.04455 9.49454 13.3662 6.52247 5.75428 4.46005 10.4348 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 6.86713 10.3731 9.03572 5.04455 9.49454 13.3662 5.89506 8.57395 8.28518 5.88327 numMergedOcc 0
15 mol 95 unq 3 iso 0 dist 6.86713 10.3731 9.03572 5.04455 9.49454 13.3662 6.40728 9.85409 15.917 3.96826 numMergedOcc 0
16 mol 95 unq 4 iso 0 dist 6.86713 7.4052 8.83255 5.04455 9.49454 12.0666 12.4753 8.27883 8.67311 15.7954 numMergedOcc 0
17 mol 95 unq 5 iso 0 dist 6.86713 7.4052 8.83255 5.04455 9.49454 12.0666 6.52247 5.75428 3.94293 10.4348 numMergedOcc 0
18 mol 95 unq 6 iso 0 dist 6.86713 7.4052 8.83255 5.04455 9.49454 12.0666 5.89506 8.57395 9.22202 5.88327 numMergedOcc 0
19 mol 95 unq 7 iso 0 dist 6.86713 7.4052 8.83255 5.04455 9.49454 12.0666 6.40728 9.85409 13.7484 3.96826 numMergedOcc 0
20 mol 95 unq 8 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 12.4753 8.27883 15.6249 15.7954 numMergedOcc 0
21 mol 95 unq 9 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 6.52247 5.75428 12.4896 10.4348 numMergedOcc 0
22 mol 95 unq 10 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 5.89506 8.57395 14.2178 5.88327 numMergedOcc 0
23 mol 95 unq 11 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 6.40728 9.85409 8.78079 3.96826 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 9.61812 11.5079 8.87449 7.76066 7.80975 7.97897 17.6236 9.90751 9.72773 15.0328 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 9.61812 11.5079 8.87449 7.76066 7.80975 7.97897 17.5707 9.21662 9.39125 12.48 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 5.26309 7.80523 7.74599 7.53887 7.07971 4.69373 5.92927 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 11.4333 7.80523 7.74599 7.83378 7.07971 4.69373 5.92927 numMergedOcc 0
28 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 14.0908 7.80523 7.74599 10.405 7.07971 4.69373 5.92927 numMergedOcc 0
29 mol 122 unq 0 iso 0 dist 8.47907 9.75696 8.37808 10.577 8.88537 5.0355 12.3287 6.00603 6.15636 6.29388 numMergedOcc 0
30 mol 122 unq 1 iso 0 dist 8.47907 9.75696 8.37808 6.9595 9.23819 7.39059 12.3287 6.00603 6.15636 9.83972 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 12.2847 9.94764 4.57832 4.72407 9.1998 12.8086 11.5269 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 5.79157 13.0109 9.86662 12.2847 9.94764 4.57832 7.97297 8.69531 7.41373 6.93712 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 5.79157 14.1608 9.71307 12.2847 9.94764 5.29786 4.72407 9.1998 15.0225 11.5269 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 5.79157 14.1608 9.71307 12.2847 9.94764 5.29786 7.97297 8.69531 10.8635 6.93712 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 10.0244 8.73217 11.7429 8.69152 6.61112 11.0961 4.03697 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 7.35197 4.8668 9.13652 12.7286 6.49765 10.6504 9.86388 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 8.57514 12.397 7.45763 7.35197 4.8668 5.8535 12.7286 6.49765 8.67921 9.86388 numMergedOcc 0
38 mol 205 unq 2 iso 0 dist 6.11505 9.35174 9.61492 5.68053 4.8668 9.13652 12.0822 6.49765 10.6504 9.86388 numMergedOcc 0
39 mol 205 unq 3 iso 0 dist 6.11505 11.3225 7.45763 5.68053 4.8668 5.8535 12.0822 6.49765 8.67921 9.86388 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 5.70548 9.05071 8.80479 8.96601 6.71524 5.10213 11.2243 numMergedOcc 0
41 mol 243 unq 0 iso 0 dist 7.80612 9.62983 8.23192 9.85403 8.76935 6.60697 11.091 7.10671 5.74165 3.85188 numMergedOcc 0
42 mol 243 unq 1 iso 0 dist 7.80612 9.62983 8.23192 9.85403 8.76935 6.60697 8.97902 8.67156 9.89868 4.21383 numMergedOcc 0
43 mol 243 unq 2 iso 0 dist 7.80612 9.62983 8.23192 7.14241 8.47652 4.26017 11.091 7.10671 5.74165 6.25256 numMergedOcc 0
44 mol 243 unq 3 iso 0 dist 7.80612 9.62983 8.23192 7.14241 8.47652 4.26017 8.97902 8.67156 9.89868 6.94795 numMergedOcc 0
