0 mol 26 unq 0 iso 0 dist 8.6112 9.27369 10.5687 7.07479 7.89667 13.6671 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.47718 9.50444 10.8201 6.54685 8.79378 12.4971 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.9459 9.50444 4.72547 6.54685 9.7691 12.4971 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.72531 9.42728 4.06424 3.44412 8.572 12.0019 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.72531 7.93341 5.63196 3.44412 8.572 10.1056 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 5.81747 7.69638 5.87788 7.53537 9.34271 14.0138 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.59503 5.62309 11.9687 8.46944 5.04673 11.308 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.59503 7.11438 12.841 8.46944 5.04673 9.68537 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.59503 5.93987 12.49 13.947 7.29864 18.22 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 9.59503 5.93987 12.49 14.5986 7.7399 14.7203 numMergedOcc 0
10 mol 92 unq 4 iso 0 dist 9.59503 7.7913 4.1125 13.947 7.29864 9.82998 numMergedOcc 0
11 mol 92 unq 5 iso 0 dist 9.59503 7.7913 4.1125 14.5986 7.7399 6.89071 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.64281 5.37302 9.01097 3.77247 9.86767 5.35711 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.43293 8.73484 6.71699 6.03314 9.58434 12.784 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 8.43293 8.73484 6.71699 4.74539 9.16089 11.9801 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 7.12336 6.42904 10.2948 5.56456 8.52036 11.4123 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 7.13766 6.48066 6.12453 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 9.83308 5.51388 9.12553 3.89732 9.58901 5.41121 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 8.44483 7.91434 13.754 4.24401 7.78577 11.3376 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 8.44483 7.79437 15.222 4.24401 7.78577 9.84538 numMergedOcc 0
20 mol 169 unq 3 iso 0 dist 8.44483 8.17917 10.711 3.69097 7.50458 6.35799 numMergedOcc 0
21 mol 169 unq 4 iso 0 dist 8.44483 8.17917 10.711 7.14832 5.79554 10.8214 numMergedOcc 0
22 mol 169 unq 5 iso 0 dist 8.44483 8.17917 10.711 8.01356 4.22003 12.7569 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 8.59783 6.21194 4.98945 14.5273 7.06555 10.2367 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.75545 5.66363 5.18154 3.55808 8.17301 9.20617 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 8.86645 5.97968 5.18154 6.33098 8.17301 9.20617 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 9.06304 9.73592 4.73615 8.15592 7.40498 11.1329 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 5.06669 8.08939 4.38246 3.62882 5.16859 6.10489 numMergedOcc 0
28 mol 244 unq 1 iso 0 dist 5.06669 8.08939 4.38246 7.8506 4.79207 4.4204 numMergedOcc 0
29 mol 244 unq 2 iso 0 dist 5.65248 7.33574 4.38246 5.2503 5.16859 6.10489 numMergedOcc 0
30 mol 244 unq 3 iso 0 dist 5.65248 7.33574 4.38246 3.66626 4.79207 4.4204 numMergedOcc 0
31 mol 286 unq 0 iso 0 dist 5.03123 8.23877 4.08297 9.30848 8.87916 9.21276 numMergedOcc 0
32 mol 286 unq 1 iso 0 dist 5.03123 8.23877 4.08297 3.90927 8.27359 10.5342 numMergedOcc 0
33 mol 286 unq 2 iso 0 dist 5.03123 8.23877 4.08297 3.85003 8.14957 11.7293 numMergedOcc 0
