0 mol 7 unq 0 iso 0 dist 8.0166 6.22805 5.70161 6.96396 12.2471 7.10621 5.99355 10.0158 5.72491 5.44992 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.32945 6.22805 4.57188 6.96396 10.2729 7.10621 5.99355 10.2615 5.72491 5.44992 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.90117 6.22805 6.09254 6.96396 7.21217 7.10621 5.99355 9.80599 5.72491 5.44992 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 6.76292 11.5401 6.56335 10.454 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 6.76292 11.5401 6.56335 6.70071 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 7.88676 7.46752 6.53177 8.02077 13.4596 8.71745 6.76292 11.5401 6.56335 4.50891 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 9.01721 13.1233 7.82074 4.93362 8.41365 6.36455 5.18512 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 9.79426 7.84393 9.84922 9.01721 13.8602 7.82074 4.93362 12.6305 6.36455 5.18512 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.39171 6.30194 5.2774 10.5627 6.89722 6.19304 14.8714 13.0088 8.73253 8.26458 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 14.8714 10.5067 8.73253 8.26458 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.60363 6.30194 8.0624 10.5627 10.1503 6.19304 14.8714 14.8476 8.73253 8.26458 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.42175 5.81552 9.60908 10.626 14.3405 9.60462 7.79791 16.7055 8.729 11.0629 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.42175 5.81552 9.60908 5.27363 13.2326 7.45389 7.79791 16.7055 8.729 5.48848 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 8.03427 12.4816 8.87694 8.88762 10.5074 6.85302 8.90184 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.43585 6.86297 5.43796 8.03427 12.4816 8.87694 7.55335 9.39664 9.98215 12.8303 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 6.43585 6.86297 5.43796 7.56632 10.9329 9.09754 8.88762 10.5074 6.85302 4.37002 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 6.43585 6.86297 5.43796 7.56632 10.9329 9.09754 7.55335 9.39664 9.98215 4.64235 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 10.6943 9.8711 9.23153 5.41948 6.50846 5.45036 6.17628 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 10.6943 9.8711 9.23153 15.1445 14.8113 9.97586 14.0253 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 7.86207 8.9077 4.90657 15.396 12.6756 8.24498 5.41948 6.50846 5.45036 10.4136 numMergedOcc 0
20 mol 220 unq 3 iso 0 dist 7.86207 8.9077 4.90657 15.396 12.6756 8.24498 15.1445 14.8113 9.97586 6.20511 numMergedOcc 0
21 mol 223 unq 0 iso 0 dist 9.29204 9.94212 18.385 11.4946 18.8401 8.77153 6.33419 15.308 6.13306 6.52273 numMergedOcc 0
22 mol 223 unq 1 iso 0 dist 9.29204 9.94212 18.385 13.1422 22.2602 8.6166 6.33419 15.308 6.13306 7.12885 numMergedOcc 0
23 mol 223 unq 2 iso 0 dist 9.14789 9.94212 19.0281 11.4946 19.381 8.77153 6.33419 15.0631 6.13306 6.52273 numMergedOcc 0
24 mol 223 unq 3 iso 0 dist 9.14789 9.94212 19.0281 13.1422 21.4312 8.6166 6.33419 15.0631 6.13306 7.12885 numMergedOcc 0
25 mol 223 unq 4 iso 0 dist 7.80764 9.94212 4.67731 11.4946 12.0111 8.77153 6.33419 6.82737 6.13306 6.52273 numMergedOcc 0
26 mol 223 unq 5 iso 0 dist 7.80764 9.94212 4.67731 13.1422 10.6785 8.6166 6.33419 6.82737 6.13306 7.12885 numMergedOcc 0
27 mol 223 unq 6 iso 0 dist 5.75896 9.94212 7.19485 11.4946 9.5211 8.77153 6.33419 6.80967 6.13306 6.52273 numMergedOcc 0
28 mol 223 unq 7 iso 0 dist 5.75896 9.94212 7.19485 13.1422 13.3416 8.6166 6.33419 6.80967 6.13306 7.12885 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 11.7724 14.4547 9.40098 6.23345 11.4439 8.37597 6.77927 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 6.6537 7.04127 6.46679 4.55824 9.75313 6.61986 6.23345 11.4439 8.37597 4.59567 numMergedOcc 0
31 mol 224 unq 2 iso 0 dist 9.08719 7.04127 7.85135 11.7724 13.1222 9.40098 6.23345 10.3724 8.37597 6.77927 numMergedOcc 0
32 mol 224 unq 3 iso 0 dist 9.08719 7.04127 7.85135 4.55824 6.08709 6.61986 6.23345 10.3724 8.37597 4.59567 numMergedOcc 0
33 mol 229 unq 0 iso 0 dist 8.36396 8.0007 11.2438 5.29674 12.1937 9.87838 7.57247 9.39295 5.77318 7.7339 numMergedOcc 0
34 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 7.37154 11.1105 6.7547 5.02022 8.02209 6.41286 6.20661 numMergedOcc 0
35 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 9.0274 11.1105 6.7547 9.81615 8.02209 6.41286 6.20661 numMergedOcc 0
36 mol 230 unq 2 iso 0 dist 8.4739 9.12305 9.94041 9.0274 14.5397 6.7547 9.81615 12.9667 6.41286 6.20661 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 10.134 11.2186 8.27212 6.4535 6.29118 7.83711 8.25884 numMergedOcc 0
38 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 9.48478 8.71859 7.69895 4.01898 8.46518 6.17052 5.99459 numMergedOcc 0
39 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 16.581 19.9111 9.02271 9.18036 12.8625 7.77998 13.6942 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 9.78068 15.2652 6.42289 15.4617 21.1498 7.99477 7.42673 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 9.78068 15.2652 6.42289 11.0527 17.1295 7.86627 6.44209 numMergedOcc 0
42 mol 258 unq 2 iso 0 dist 7.70189 8.81059 9.22664 9.78068 8.58088 6.42289 15.4617 14.7484 7.99477 7.42673 numMergedOcc 0
43 mol 258 unq 3 iso 0 dist 7.70189 8.81059 9.22664 9.78068 8.58088 6.42289 11.0527 13.7217 7.86627 6.44209 numMergedOcc 0
44 mol 261 unq 0 iso 0 dist 9.70222 7.6414 11.544 13.6041 17.2791 8.45658 13.4429 19.6488 8.60026 6.04016 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 7.50321 6.62923 7.55961 11.9042 16.9946 9.97651 14.4134 15.7656 9.19033 10.26 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 5.27123 12.4617 8.46116 14.4134 15.7656 9.19033 13.5034 numMergedOcc 0
47 mol 272 unq 2 iso 0 dist 9.61597 6.62923 5.43733 11.9042 15.2989 9.97651 14.4134 11.8957 9.19033 10.26 numMergedOcc 0
48 mol 272 unq 3 iso 0 dist 9.61597 6.62923 5.43733 5.27123 13.2205 8.46116 14.4134 11.8957 9.19033 13.5034 numMergedOcc 0
