0 mol 7 unq 0 iso 0 dist 8.40995 7.32392 4.77411 10.5949 11.1667 6.7985 10.1204 9.21897 9.0379 9.68596 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.05125 7.15434 9.17482 10.7937 7.11539 8.72114 12.8628 5.37308 11.8172 6.02702 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 7.97177 13.2968 8.53529 13.8619 18.578 12.4076 7.03958 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 5.41248 4.92734 7.36147 7.97177 13.2968 8.53529 6.57999 10.1093 8.4069 7.18019 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 5.41248 4.92734 7.36147 7.97177 13.2968 8.53529 12.3088 16.2466 12.9016 8.44009 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 5.41248 6.57999 10.1093 7.97177 13.2968 7.18019 13.8619 18.578 10.9495 7.03958 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 5.41248 6.57999 10.1093 7.97177 13.2968 7.18019 4.92734 7.36147 8.4069 8.53529 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 5.41248 6.57999 10.1093 7.97177 13.2968 7.18019 12.3088 16.2466 6.23795 8.44009 numMergedOcc 0
8 mol 8 unq 6 iso 0 dist 7.45665 6.4754 4.62402 5.3298 10.4279 7.18019 10.2567 13.0527 10.9495 7.03958 numMergedOcc 0
9 mol 8 unq 7 iso 0 dist 7.45665 6.4754 4.62402 5.3298 10.4279 7.18019 11.9453 12.9962 8.4069 8.53529 numMergedOcc 0
10 mol 8 unq 8 iso 0 dist 7.45665 6.4754 4.62402 5.3298 10.4279 7.18019 7.3795 5.66268 6.23795 8.44009 numMergedOcc 0
11 mol 8 unq 9 iso 0 dist 7.45665 7.3795 5.66268 5.3298 10.4279 8.44009 10.2567 13.0527 8.09332 7.03958 numMergedOcc 0
12 mol 8 unq 10 iso 0 dist 7.45665 7.3795 5.66268 5.3298 10.4279 8.44009 11.9453 12.9962 12.9016 8.53529 numMergedOcc 0
13 mol 8 unq 11 iso 0 dist 7.45665 7.3795 5.66268 5.3298 10.4279 8.44009 6.4754 4.62402 6.23795 7.18019 numMergedOcc 0
14 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 5.11248 9.78197 6.72833 8.82587 6.88552 10.4852 6.93532 numMergedOcc 0
15 mol 30 unq 0 iso 0 dist 6.59376 7.53042 7.12759 5.9029 10.9154 7.12365 11.534 12.4707 5.34368 8.1284 numMergedOcc 0
16 mol 30 unq 1 iso 0 dist 8.18794 7.53042 4.43881 5.9029 9.81761 7.12365 11.534 9.17153 5.34368 8.1284 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 7.88143 5.85841 4.04716 4.81103 7.67564 5.78706 11.1652 8.87226 7.51619 7.23884 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 7.88143 5.85841 4.04716 4.81103 7.67564 5.78706 7.00285 13.0429 10.6225 5.59328 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 7.88143 5.85841 4.04716 4.81103 7.67564 5.78706 11.8527 13.699 12.7411 7.5242 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.88143 7.00285 13.0429 4.81103 7.67564 5.59328 5.85841 4.04716 10.6225 5.78706 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 7.88143 7.00285 13.0429 4.81103 7.67564 5.59328 11.1652 8.87226 11.4338 7.23884 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.88143 7.00285 13.0429 4.81103 7.67564 5.59328 11.8527 13.699 7.72877 7.5242 numMergedOcc 0
23 mol 98 unq 6 iso 0 dist 6.62952 5.85841 4.75433 4.81103 8.60103 5.78706 11.1652 10.9049 7.51619 7.23884 numMergedOcc 0
24 mol 98 unq 7 iso 0 dist 6.62952 5.85841 4.75433 4.81103 8.60103 5.78706 7.00285 11.5098 10.6225 5.59328 numMergedOcc 0
25 mol 98 unq 8 iso 0 dist 6.62952 5.85841 4.75433 4.81103 8.60103 5.78706 11.8527 15.8069 12.7411 7.5242 numMergedOcc 0
26 mol 98 unq 9 iso 0 dist 6.62952 7.00285 11.5098 4.81103 8.60103 5.59328 5.85841 4.75433 10.6225 5.78706 numMergedOcc 0
27 mol 98 unq 10 iso 0 dist 6.62952 7.00285 11.5098 4.81103 8.60103 5.59328 11.1652 10.9049 11.4338 7.23884 numMergedOcc 0
28 mol 98 unq 11 iso 0 dist 6.62952 7.00285 11.5098 4.81103 8.60103 5.59328 11.8527 15.8069 7.72877 7.5242 numMergedOcc 0
29 mol 98 unq 12 iso 0 dist 4.3521 6.78839 4.75433 7.22196 8.60103 5.78706 11.1321 10.9049 7.51619 7.23884 numMergedOcc 0
30 mol 98 unq 13 iso 0 dist 4.3521 6.78839 4.75433 7.22196 8.60103 5.78706 8.02354 11.5098 10.6225 5.59328 numMergedOcc 0
31 mol 98 unq 14 iso 0 dist 4.3521 6.78839 4.75433 7.22196 8.60103 5.78706 13.7128 15.8069 12.7411 7.5242 numMergedOcc 0
32 mol 98 unq 15 iso 0 dist 4.3521 8.02354 11.5098 7.22196 8.60103 5.59328 6.78839 4.75433 10.6225 5.78706 numMergedOcc 0
33 mol 98 unq 16 iso 0 dist 4.3521 8.02354 11.5098 7.22196 8.60103 5.59328 11.1321 10.9049 11.4338 7.23884 numMergedOcc 0
34 mol 98 unq 17 iso 0 dist 4.3521 8.02354 11.5098 7.22196 8.60103 5.59328 13.7128 15.8069 7.72877 7.5242 numMergedOcc 0
35 mol 100 unq 0 iso 0 dist 8.09751 5.70279 11.3776 10.838 18.6088 8.30845 11.3277 17.0696 5.88134 7.01812 numMergedOcc 0
36 mol 125 unq 0 iso 0 dist 8.75402 7.76202 5.87414 7.74181 6.75122 7.47069 13.6357 5.14447 9.34412 9.08382 numMergedOcc 0
37 mol 125 unq 1 iso 0 dist 8.75402 7.76202 5.87414 7.74181 6.75122 7.47069 13.0388 6.10523 11.8325 9.3778 numMergedOcc 0
38 mol 125 unq 2 iso 0 dist 8.48363 6.03557 6.10523 6.46489 8.35871 7.73435 10.231 5.14447 5.20403 8.76789 numMergedOcc 0
39 mol 125 unq 3 iso 0 dist 8.48363 6.03557 6.10523 8.27647 6.75122 9.3778 10.231 5.14447 5.20403 9.08382 numMergedOcc 0
40 mol 125 unq 4 iso 0 dist 8.48363 6.03557 6.10523 8.27647 6.75122 9.3778 13.084 5.87414 11.8325 7.47069 numMergedOcc 0
41 mol 171 unq 0 iso 0 dist 8.42643 7.13441 5.60928 8.99392 10.3893 8.24693 15.1055 13.3063 11.6409 6.64834 numMergedOcc 0
42 mol 171 unq 1 iso 0 dist 8.42643 7.13441 5.60928 8.99392 10.3893 8.24693 12.2067 10.307 7.31409 5.93786 numMergedOcc 0
43 mol 171 unq 2 iso 0 dist 8.42643 7.13441 5.60928 8.99392 10.3893 8.24693 15.9953 16.9331 14.1033 7.36698 numMergedOcc 0
44 mol 171 unq 3 iso 0 dist 8.42643 7.13441 5.60928 5.68701 7.61144 6.71356 12.2067 10.307 7.31409 8.1344 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 6.72105 8.89211 10.8978 7.46856 11.097 8.50102 13.0468 16.6863 6.56633 9.40808 numMergedOcc 0
46 mol 232 unq 1 iso 0 dist 7.96569 8.89211 10.4487 7.46856 13.5987 8.50102 13.0468 16.8059 6.56633 9.40808 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 5.11183 9.49129 7.57812 12.6253 14.6188 10.0191 9.24557 numMergedOcc 0
