0 mol 20 unq 0 iso 0 dist 8.71628 6.98731 6.4934 9.74266 6.71051 7.84796 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.71628 12.0498 6.93199 13.263 5.1402 9.84657 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 8.06918 9.17087 8.33704 9.28709 10.7301 7.95122 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 8.06918 5.33532 7.92394 9.28709 10.7301 9.74268 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 8.56968 12.189 8.33704 14.0042 10.7301 7.95122 numMergedOcc 0
5 mol 70 unq 3 iso 0 dist 8.56968 7.6455 7.92394 14.0042 10.7301 9.74268 numMergedOcc 0
6 mol 70 unq 4 iso 0 dist 7.70428 9.32366 8.33704 15.6511 10.7301 7.95122 numMergedOcc 0
7 mol 70 unq 5 iso 0 dist 7.70428 7.61147 7.92394 15.6511 10.7301 9.74268 numMergedOcc 0
8 mol 70 unq 6 iso 0 dist 7.52623 5.33532 9.93423 9.28709 11.7565 9.74268 numMergedOcc 0
9 mol 70 unq 7 iso 0 dist 7.31655 7.6455 9.93423 14.0042 11.7565 9.74268 numMergedOcc 0
10 mol 70 unq 8 iso 0 dist 5.62294 5.33532 9.34122 9.28709 12.3296 9.74268 numMergedOcc 0
11 mol 70 unq 9 iso 0 dist 7.99569 7.6455 9.34122 14.0042 12.3296 9.74268 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.9443 10.2548 4.76815 15.0333 7.39527 9.91446 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.0405 9.7939 8.72704 13.2472 10.6273 5.09688 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.0405 9.7939 8.72704 13.9564 11.6898 9.26343 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 9.80337 10.3931 7.34519 18.8883 11.5439 9.79448 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.4422 12.4033 8.62646 11.0034 6.90242 6.64164 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 4.80429 7.18317 6.0965 13.3232 10.693 6.82185 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 6.38872 7.17515 8.45368 11.4024 6.32328 9.06306 numMergedOcc 0
19 mol 213 unq 2 iso 0 dist 6.38872 7.18317 9.59129 13.3232 12.9129 6.82185 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 7.89694 7.82717 9.50586 10.2692 6.21463 6.22077 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 5.66171 12.0404 7.17547 10.2692 6.48676 5.52981 numMergedOcc 0
22 mol 218 unq 2 iso 0 dist 5.66171 7.82717 7.13323 10.2692 6.48676 6.22077 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.89216 11.0676 6.91569 16.9094 12.5765 9.82174 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 6.62086 13.6971 9.68513 12.6903 12.4266 7.62771 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 6.62086 7.30165 9.29858 14.4007 14.751 7.13194 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 6.62086 7.30165 9.29858 12.6903 12.4266 7.80166 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 6.50118 11.0996 9.68513 11.893 12.4266 7.62771 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 6.50118 5.18833 9.29858 10.8367 14.751 7.13194 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 6.50118 5.18833 9.29858 11.893 12.4266 7.80166 numMergedOcc 0
30 mol 238 unq 7 iso 0 dist 6.19297 11.4969 9.90142 16.4544 14.0776 7.2527 numMergedOcc 0
31 mol 238 unq 8 iso 0 dist 6.19297 11.4969 9.90142 11.6168 11.091 9.29203 numMergedOcc 0
32 mol 238 unq 9 iso 0 dist 6.19297 6.33281 5.9216 11.6168 11.091 7.62771 numMergedOcc 0
33 mol 238 unq 10 iso 0 dist 9.3099 11.1632 9.90142 10.8367 14.0776 7.2527 numMergedOcc 0
34 mol 238 unq 11 iso 0 dist 9.3099 11.1632 9.90142 11.893 11.091 9.29203 numMergedOcc 0
35 mol 238 unq 12 iso 0 dist 9.3099 11.0996 5.9216 11.893 11.091 7.62771 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 7.83041 12.3321 7.19465 16.356 10.6548 5.76077 numMergedOcc 0
37 mol 253 unq 1 iso 0 dist 7.83041 12.3321 7.19465 5.85222 3.494 7.0247 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 7.86196 9.62211 9.03492 11.8456 6.28374 7.1984 numMergedOcc 0
