0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 11.095 8.60554 13.0764 8.95357 8.20058 8.45916 13.4836 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.11056 8.94703 4.79736 4.04757 8.44664 9.98592 8.95357 8.20058 8.45916 11.9824 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.11056 8.94703 4.79736 6.66757 9.44691 13.2105 8.95357 8.20058 8.45916 9.04355 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.96265 7.61923 6.16718 12.8967 9.6782 13.4061 11.0602 9.74935 5.87258 13.9767 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 9.70459 5.11941 6.16718 13.4256 9.6782 13.4061 6.3575 9.74935 5.87258 13.9767 numMergedOcc 0
5 mol 44 unq 2 iso 0 dist 7.78905 5.84744 6.16718 9.64095 9.6782 13.4061 5.73343 9.74935 5.87258 13.9767 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 3.63144 7.16773 11.1705 5.16581 10.9983 5.62688 8.29067 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.9747 7.34638 7.03983 7.43001 6.65501 9.84743 11.1108 8.05602 4.79891 11.0132 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.50572 6.0995 7.03983 9.5305 6.65501 9.84743 9.17639 8.05602 4.79891 11.0132 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.3164 8.30089 6.35679 4.81814 7.80523 10.5546 7.12319 8.84523 7.22752 10.8869 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.40546 5.90003 10.5082 5.73999 8.99399 9.6153 7.49885 13.2957 6.88175 11.3636 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 7.03404 6.28565 10.9495 8.56696 6.23966 8.46972 6.47522 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 4.92611 7.58957 6.34626 8.56696 6.23966 8.46972 5.85167 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 5.45915 6.53347 9.24038 11.1511 13.3396 8.14405 11.0203 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 4.98945 9.61462 7.47964 12.1824 14.7738 8.09699 9.21862 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 9.39384 9.74144 12.0526 9.60101 10.0663 8.43638 12.3018 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 5.87223 5.03184 3.9436 9.39384 9.74144 12.0526 9.48834 10.8077 7.06117 18.3894 numMergedOcc 0
17 mol 212 unq 2 iso 0 dist 5.87223 5.03184 3.9436 6.48939 8.69988 9.10288 9.60101 10.0663 8.43638 15.9513 numMergedOcc 0
18 mol 212 unq 3 iso 0 dist 5.87223 5.03184 3.9436 6.48939 8.69988 9.10288 9.48834 10.8077 7.06117 11.9681 numMergedOcc 0
19 mol 212 unq 4 iso 0 dist 5.87223 5.03184 3.9436 5.81626 8.55903 6.19798 9.60101 10.0663 8.43638 13.0497 numMergedOcc 0
20 mol 212 unq 5 iso 0 dist 5.87223 5.03184 3.9436 5.81626 8.55903 6.19798 9.48834 10.8077 7.06117 5.90313 numMergedOcc 0
21 mol 212 unq 6 iso 0 dist 5.87223 5.03184 3.9436 5.94698 7.15603 9.32123 9.60101 10.0663 8.43638 12.9081 numMergedOcc 0
22 mol 212 unq 7 iso 0 dist 5.87223 5.03184 3.9436 5.94698 7.15603 9.32123 9.48834 10.8077 7.06117 15.1334 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 4.36131 8.52587 10.0206 12.746 20.1985 9.40401 15.5115 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 9.71801 7.15079 11.4471 4.36131 8.52587 10.0206 10.9845 15.5036 5.64169 12.8602 numMergedOcc 0
