0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 12.2041 7.88043 10.3148 16.4405 17.6947 8.60435 15.6193 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 5.7531 7.12263 7.27018 4.88215 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 5.7531 7.12263 7.27018 6.36434 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 5.7531 7.12263 7.27018 8.79272 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 8.79272 7.12263 7.27018 5.7531 numMergedOcc 0
5 mol 8 unq 4 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 8.79272 7.12263 7.27018 4.88215 numMergedOcc 0
6 mol 8 unq 5 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 8.79272 7.12263 7.27018 6.36434 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 11.4245 10.5473 6.59455 14.7278 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 7.9944 8.48677 9.06304 5.06358 7.032 11.3467 11.4245 10.5473 5.71201 14.7278 numMergedOcc 0
9 mol 9 unq 2 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 14.7278 10.5473 6.59455 11.4245 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 11.1124 15.8538 6.2004 17.3486 numMergedOcc 0
11 mol 24 unq 1 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 10.2913 14.8246 6.2004 22.0948 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.85907 8.56342 6.52773 4.99056 8.03035 8.8562 3.78311 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 4.85907 7.99857 9.11344 3.78311 8.03035 8.8562 4.99056 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 4.85907 7.99857 12.7677 3.78311 8.03035 7.91683 4.99056 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.2572 9.15431 15.7676 7.73656 9.35938 6.48674 10.3335 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 6.63273 6.92648 12.6227 7.73656 9.35938 6.48674 8.6647 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 13.8236 11.3342 7.64956 17.0138 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 4.44751 7.82546 7.32555 9.61561 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 4.44751 7.82546 7.32555 10.2067 numMergedOcc 0
20 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 9.61561 7.82546 7.32555 4.44751 numMergedOcc 0
21 mol 171 unq 3 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 9.61561 7.82546 7.32555 10.2067 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 6.66155 5.52678 6.37788 6.12973 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 5.4499 9.81666 8.7028 11.0239 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 6.66155 5.52678 6.37788 13.0333 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 5.4499 9.81666 8.7028 18.6469 numMergedOcc 0
26 mol 194 unq 4 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 6.66155 5.52678 6.37788 10.1796 numMergedOcc 0
27 mol 194 unq 5 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 5.4499 9.81666 8.7028 13.5457 numMergedOcc 0
28 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 9.59927 7.31113 6.11495 6.46131 numMergedOcc 0
29 mol 237 unq 1 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 5.12181 9.53139 9.36216 10.2142 numMergedOcc 0
30 mol 237 unq 2 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 9.52569 11.4278 8.72819 14.1808 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.74345 9.12395 11.3027 5.73336 12.1554 7.21972 7.92935 numMergedOcc 0
