0 mol 27 unq 0 iso 0 dist 8.28463 3.71754 9.77484 7.90154 10.1814 8.11206 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.52969 12.9126 8.26899 5.99959 6.75888 8.80108 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.67586 10.9894 6.71911 12.8492 5.3525 6.5096 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 8.97292 9.55542 6.71911 10.0237 5.3525 6.5096 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 9.24442 5.03719 7.72108 8.13381 5.81128 6.6925 numMergedOcc 0
5 mol 99 unq 1 iso 0 dist 9.24442 5.03719 7.72108 10.997 4.91474 7.12746 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 5.87387 6.2394 8.71128 9.91452 9.2907 7.36816 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 6.06543 6.2394 7.52743 9.91452 5.33327 7.36816 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.79448 11.8721 8.59981 10.4933 4.77464 6.3244 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 4.93035 6.70767 6.93652 9.82638 7.57216 6.2135 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.14907 7.79621 7.39644 12.1798 5.40375 7.37901 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 7.39961 5.58352 8.47155 9.89595 9.30783 6.90155 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 7.80643 5.58352 9.36805 9.89595 7.29758 6.90155 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.50904 14.6248 9.31887 14.6406 8.22779 4.79852 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.25528 14.3955 6.94688 11.1948 8.25067 8.20656 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.25528 15.6271 6.71012 11.1948 8.25067 9.40622 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 7.68247 4.8403 9.27478 9.25461 6.62321 7.01496 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.06306 6.32328 8.45368 7.67499 11.1059 8.74171 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 6.82185 12.9129 9.59129 14.2318 12.2579 8.74171 numMergedOcc 0
19 mol 213 unq 2 iso 0 dist 6.77104 9.7466 6.68292 13.8034 11.1063 8.74171 numMergedOcc 0
20 mol 213 unq 3 iso 0 dist 6.77104 9.7466 6.68292 6.91442 4.93472 6.85195 numMergedOcc 0
21 mol 213 unq 4 iso 0 dist 6.77104 5.52154 4.26212 6.91442 4.93472 6.17451 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 5.52981 6.48676 7.17547 8.39955 4.54272 8.57853 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 5.52981 6.48676 7.17547 10.8284 10.2673 6.75035 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 6.22077 6.48676 7.13323 8.39955 6.8949 8.57853 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 6.22077 6.48676 7.13323 10.8284 6.60235 6.75035 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.69537 11.3668 8.19953 13.2539 7.67202 4.55996 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 7.2527 14.0776 9.90142 18.8002 15.7973 8.70193 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.29203 11.091 9.90142 12.1997 15.7973 8.70193 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.62771 11.091 5.9216 12.1997 10.438 8.70193 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.49673 4.68558 7.20082 9.81195 6.26168 6.34801 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 6.18342 6.49019 8.80086 10.2128 11.0402 7.88284 numMergedOcc 0
32 mol 250 unq 1 iso 0 dist 6.18342 6.49019 8.80086 8.4419 7.26274 9.88279 numMergedOcc 0
33 mol 282 unq 0 iso 0 dist 8.74201 8.88596 9.58517 10.5043 5.9438 6.73692 numMergedOcc 0
34 mol 282 unq 1 iso 0 dist 6.65024 6.25775 9.58517 8.47112 5.9438 6.73692 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 7.1984 6.28374 9.03492 5.29065 6.46298 7.72845 numMergedOcc 0
