0 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 8.3794 9.75966 6.03257 6.3431 11.3543 10.1154 6.42748 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.82187 7.49229 5.89412 8.3794 9.75966 6.03257 9.85033 9.88835 4.29582 7.48342 numMergedOcc 0
2 mol 15 unq 2 iso 0 dist 6.60595 7.11548 6.42748 8.37378 10.1154 6.03257 6.78983 11.3543 9.75966 5.89412 numMergedOcc 0
3 mol 15 unq 3 iso 0 dist 6.60595 7.11548 6.42748 8.37378 10.1154 6.03257 9.50843 10.6338 4.39605 7.07399 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 11.0283 4.64838 9.95212 13.3276 8.4674 9.74255 6.41575 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 6.41045 10.4834 8.40416 11.0283 4.64838 9.95212 7.64353 4.51865 7.08342 6.41423 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.0319 10.6504 7.33768 13.1713 6.66749 8.00171 11.4109 6.86014 4.32034 9.41441 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.0319 10.6504 7.33768 13.1713 6.66749 8.00171 18.7816 11.0194 11.9112 6.73939 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.0319 15.919 9.01567 13.1713 6.66749 4.2121 11.4109 6.86014 8.67951 9.41441 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 8.0319 15.919 9.01567 13.1713 6.66749 4.2121 18.7816 11.0194 4.50066 6.73939 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 8.0319 15.2997 7.29868 13.1713 6.66749 6.72323 11.4109 6.86014 8.52463 9.41441 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 8.0319 15.2997 7.29868 13.1713 6.66749 6.72323 18.7816 11.0194 5.11617 6.73939 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 7.03536 11.1037 9.30539 11.2586 4.57085 8.66165 16.4604 10.2307 10.1024 5.73743 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1456 10.6848 9.5057 15.1707 10.1489 5.42531 7.80975 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 7.689 12.5859 7.01812 11.1456 10.6848 9.5057 5.71475 7.17106 8.4128 7.10378 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 9.22737 10.6748 8.30845 17.1976 15.3454 9.5057 15.785 13.2001 5.42531 7.80975 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 9.22737 10.6748 8.30845 17.1976 15.3454 9.5057 12.0206 10.5134 8.4128 7.10378 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 8.59695 7.72162 9.36851 6.52844 4.55551 9.73158 6.13737 5.83384 10.7293 6.28565 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 8.59695 7.95267 4.97175 6.52844 4.55551 7.59327 6.13737 5.83384 7.29399 6.28565 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 6.42706 13.0193 9.36851 9.51709 4.55551 9.73158 5.12351 5.83384 10.7293 6.28565 numMergedOcc 0
20 mol 129 unq 3 iso 0 dist 6.42706 8.03693 4.97175 9.51709 4.55551 7.59327 5.12351 5.83384 7.29399 6.28565 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.86784 12.3839 7.80532 11.6726 5.71679 6.40575 5.15251 6.54501 7.41674 7.69991 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.86784 12.3839 7.80532 11.6726 5.71679 6.40575 6.65283 6.49416 9.87376 6.23142 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 8.86784 12.3839 7.80532 11.6726 5.71679 6.40575 12.2198 12.5075 14.9876 9.94764 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 8.50926 5.6621 9.00416 8.75305 10.8404 8.21184 10.6289 11.6719 5.81563 7.30357 numMergedOcc 0
25 mol 156 unq 1 iso 0 dist 8.50926 5.6621 9.00416 5.13522 5.18356 5.9976 10.6289 11.6719 5.81563 8.61587 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 7.73971 8.94436 9.61462 11.6947 11.5561 5.25109 9.37018 13.05 4.78075 6.64834 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 7.73971 8.94436 9.61462 11.6947 11.5561 5.25109 11.7342 14.9792 7.9651 5.93786 numMergedOcc 0
28 mol 171 unq 2 iso 0 dist 7.73971 8.94436 9.61462 11.6947 11.5561 5.25109 14.9797 16.2078 12.6853 8.24693 numMergedOcc 0
29 mol 171 unq 3 iso 0 dist 7.73971 8.94436 9.61462 11.6947 11.5561 5.25109 13.9157 15.4802 5.90026 7.36698 numMergedOcc 0
30 mol 171 unq 4 iso 0 dist 7.73971 8.94436 9.61462 12.2237 10.844 8.21618 11.7342 14.9792 7.9651 8.1344 numMergedOcc 0
31 mol 171 unq 5 iso 0 dist 7.73971 8.94436 9.61462 12.2237 10.844 8.21618 14.9797 16.2078 12.6853 6.71356 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 8.6771 9.81372 8.69104 12.8585 8.1195 5.92374 14.6608 13.9668 5.50308 8.94014 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 8.6771 9.81372 8.69104 12.8585 8.1195 5.92374 16.7518 12.8275 7.11984 7.02333 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 8.6771 9.81372 8.69104 12.8585 8.1195 5.92374 15.7544 10.7456 7.95232 8.67864 numMergedOcc 0
35 mol 271 unq 0 iso 0 dist 9.42899 11.0964 9.70714 14.4126 8.66946 5.92274 15.8798 15.085 5.53238 8.98576 numMergedOcc 0
36 mol 271 unq 1 iso 0 dist 9.42899 11.0964 9.70714 14.4126 8.66946 5.92274 18.8364 16.6378 9.1619 8.92636 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 9.37841 4.73332 8.49177 9.65597 4.60101 7.16346 15.0014 13.3579 12.0136 8.83865 numMergedOcc 0
38 mol 273 unq 1 iso 0 dist 9.37841 4.73332 8.49177 9.65597 4.60101 7.16346 16.3813 13.4294 12.1851 9.18157 numMergedOcc 0
