0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 13.1065 10.7048 6.35398 6.56599 3.66215 9.09091 7.85924 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.33736 4.92118 6.41008 10.9921 4.59417 8.80614 11.8194 10.5052 7.6481 13.9007 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.33736 4.92118 6.41008 10.9921 4.59417 8.80614 9.9648 4.43437 9.11258 6.47744 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.96898 8.90117 8.21895 13.6275 14.3608 7.56205 11.8253 5.27573 6.04903 11.7069 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.96898 8.90117 8.21895 8.54481 5.9487 4.74544 11.8253 5.27573 6.04903 5.49555 numMergedOcc 0
5 mol 135 unq 0 iso 0 dist 8.18584 9.25955 7.02963 14.7648 10.9403 5.62052 17.2976 12.1938 9.15377 4.91422 numMergedOcc 0
6 mol 135 unq 1 iso 0 dist 8.18584 9.25955 7.02963 15.0998 8.06169 7.85645 17.2976 12.1938 9.15377 6.35261 numMergedOcc 0
7 mol 135 unq 2 iso 0 dist 9.85803 12.4693 7.02963 17.8951 10.9403 5.62052 20.8518 12.1938 9.15377 4.91422 numMergedOcc 0
8 mol 135 unq 3 iso 0 dist 9.85803 12.4693 7.02963 16.9017 8.06169 7.85645 20.8518 12.1938 9.15377 6.35261 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 5.28634 4.1584 4.92382 10.0313 8.76709 8.10291 6.27859 9.08526 4.25566 10.5489 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 5.28634 4.1584 4.92382 10.0313 8.76709 8.10291 6.28535 8.96466 6.63171 6.71391 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 5.28634 4.1584 4.92382 10.0313 8.76709 8.10291 10.1966 11.4814 7.67273 6.6258 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.0735 4.74651 8.74878 14.1021 11.5545 9.91993 9.21934 4.43652 8.73468 10.2478 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 9.0735 4.74651 8.74878 12.9544 6.77599 9.99156 9.21934 4.43652 8.73468 6.84291 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.03593 4.75241 8.74018 14.0932 11.5728 9.96691 9.13113 4.48089 8.73558 10.2318 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 9.03593 4.75241 8.74018 12.8058 6.74495 9.8656 9.13113 4.48089 8.73558 6.79619 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 7.50005 5.01686 8.4784 11.3059 8.02684 8.10214 6.02957 4.61059 9.33696 12.0548 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 14.8635 13.2948 8.91712 10.3062 8.99193 5.59555 4.62998 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 5.55176 9.62532 9.25759 7.7743 3.65199 9.65934 10.3062 8.99193 5.59555 7.23534 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 14.8635 13.2948 8.91712 10.3062 8.99193 5.59555 4.62998 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 5.55176 9.62532 9.25759 7.7743 3.65199 9.65934 10.3062 8.99193 5.59555 7.23534 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 14.8635 13.2948 8.91712 10.3062 8.99193 5.59555 4.62998 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 5.55176 9.62532 9.25759 7.7743 3.65199 9.65934 10.3062 8.99193 5.59555 7.23534 numMergedOcc 0
