0 mol 32 unq 0 iso 0 dist 7.6082 11.1937 9.24687 13.5196 8.89682 4.38241 numMergedOcc 0
1 mol 32 unq 0 iso 1 dist 9.24687 11.1937 7.6082 4.38241 8.89682 13.5196 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.56911 5.82417 7.68053 6.91704 8.39015 7.84652 numMergedOcc 0
3 mol 90 unq 0 iso 1 dist 7.68053 5.82417 9.56911 7.84652 8.39015 6.91704 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.03472 3.58204 9.40274 8.39416 4.85152 10.4946 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 9.40274 3.58204 9.03472 10.4946 4.85152 8.39416 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 9.71431 14.8569 9.50277 6.72551 8.97683 9.33806 numMergedOcc 0
7 mol 110 unq 0 iso 1 dist 9.50277 14.8569 9.71431 9.33806 8.97683 6.72551 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.43256 3.90258 8.14202 4.85698 8.39634 5.60933 numMergedOcc 0
9 mol 175 unq 0 iso 1 dist 8.14202 3.90258 8.43256 5.60933 8.39634 4.85698 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.99964 6.3591 6.93144 12.0022 8.62543 5.67469 numMergedOcc 0
11 mol 181 unq 0 iso 1 dist 6.93144 6.3591 9.99964 5.67469 8.62543 12.0022 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 9.99964 10.1046 7.04782 12.0022 8.62543 4.66206 numMergedOcc 0
13 mol 181 unq 1 iso 1 dist 7.04782 10.1046 9.99964 4.66206 8.62543 12.0022 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.93144 4.53746 7.04782 5.67469 8.62543 4.66206 numMergedOcc 0
15 mol 181 unq 1 iso 1 dist 7.04782 4.53746 6.93144 4.66206 8.62543 5.67469 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 7.43427 8.27713 7.50841 6.86057 5.98076 12.1138 numMergedOcc 0
17 mol 218 unq 0 iso 1 dist 7.50841 8.27713 7.43427 12.1138 5.98076 6.86057 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.75001 12.1075 6.75599 9.0972 6.32593 4.27675 numMergedOcc 0
19 mol 238 unq 0 iso 1 dist 6.75599 12.1075 8.75001 4.27675 6.32593 9.0972 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 6.23198 5.43735 8.82216 8.67927 8.66784 5.31221 numMergedOcc 0
21 mol 260 unq 0 iso 1 dist 8.82216 5.43735 6.23198 5.31221 8.66784 8.67927 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 6.23198 5.43735 8.82216 8.55761 8.3298 5.33348 numMergedOcc 0
23 mol 260 unq 1 iso 1 dist 8.82216 5.43735 6.23198 5.33348 8.3298 8.55761 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 9.83374 8.25517 5.75335 11.7549 9.36052 7.38837 numMergedOcc 0
25 mol 273 unq 0 iso 1 dist 5.75335 8.25517 9.83374 7.38837 9.36052 11.7549 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.8643 10.7301 5.90456 6.17316 8.36655 12.8668 numMergedOcc 0
27 mol 279 unq 0 iso 1 dist 5.90456 10.7301 8.8643 12.8668 8.36655 6.17316 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 9.24895 12.7877 8.34154 7.88157 8.76889 12.3885 numMergedOcc 0
29 mol 279 unq 1 iso 1 dist 8.34154 12.7877 9.24895 12.3885 8.76889 7.88157 numMergedOcc 0
30 mol 279 unq 2 iso 0 dist 9.24895 12.7877 8.34154 8.60764 6.37469 6.66489 numMergedOcc 0
31 mol 279 unq 2 iso 1 dist 8.34154 12.7877 9.24895 6.66489 6.37469 8.60764 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 9.69083 10.8201 5.96202 12.4856 6.15136 5.49773 numMergedOcc 0
33 mol 283 unq 0 iso 1 dist 5.96202 10.8201 9.69083 5.49773 6.15136 12.4856 numMergedOcc 0
34 mol 283 unq 1 iso 0 dist 9.69083 10.4316 9.55068 12.4856 6.15136 5.8402 numMergedOcc 0
35 mol 283 unq 1 iso 1 dist 9.55068 10.4316 9.69083 5.8402 6.15136 12.4856 numMergedOcc 0
36 mol 283 unq 1 iso 0 dist 5.96202 7.7635 9.55068 5.49773 6.15136 5.8402 numMergedOcc 0
37 mol 283 unq 1 iso 1 dist 9.55068 7.7635 5.96202 5.8402 6.15136 5.49773 numMergedOcc 0
