0 mol 4 unq 0 iso 0 dist 8.15534 5.12159 6.12485 7.58769 6.21697 6.86951 5.10085 6.66589 6.56189 9.80478 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.58769 5.12159 6.86951 8.15534 6.21697 6.12485 5.10085 9.80478 6.56189 6.66589 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.68446 13.7296 8.15864 16.9813 10.1259 6.6051 16.4648 12.5465 6.67154 8.17618 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.5663 12.0987 5.66803 20.6337 12.1186 8.85416 16.2244 12.0432 6.43864 9.99634 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 8.21588 5.34066 5.62336 6.62798 5.38943 5.63748 7.2527 9.1329 5.507 5.26938 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 8.21588 5.34066 5.62336 6.62798 5.38943 5.63748 12.2598 9.03114 7.26523 8.91602 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 6.62798 10.7803 9.90256 11.2078 6.69898 7.57471 7.2527 5.26938 5.30415 6.8014 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 6.62798 5.34066 5.63748 8.21588 5.38943 5.62336 7.2527 5.26938 5.507 9.1329 numMergedOcc 0
8 mol 87 unq 4 iso 0 dist 6.62798 5.34066 5.63748 8.21588 5.38943 5.62336 7.55603 11.099 5.76272 9.33217 numMergedOcc 0
9 mol 87 unq 5 iso 0 dist 6.62798 5.34066 5.63748 8.21588 5.38943 5.62336 12.2598 8.91602 7.26523 9.03114 numMergedOcc 0
10 mol 87 unq 6 iso 0 dist 8.15104 5.22028 5.62336 9.94718 5.38943 5.63748 8.89893 9.1329 5.507 5.26938 numMergedOcc 0
11 mol 87 unq 7 iso 0 dist 8.15104 5.22028 5.62336 9.94718 5.38943 5.63748 5.64484 9.03114 7.26523 8.91602 numMergedOcc 0
12 mol 87 unq 8 iso 0 dist 9.94718 13.2349 9.90256 14.8798 6.69898 7.57471 8.89893 5.26938 5.30415 6.8014 numMergedOcc 0
13 mol 87 unq 9 iso 0 dist 9.94718 5.22028 5.63748 8.15104 5.38943 5.62336 8.89893 5.26938 5.507 9.1329 numMergedOcc 0
14 mol 87 unq 10 iso 0 dist 9.94718 5.22028 5.63748 8.15104 5.38943 5.62336 6.14857 11.099 5.76272 9.33217 numMergedOcc 0
15 mol 87 unq 11 iso 0 dist 9.94718 5.22028 5.63748 8.15104 5.38943 5.62336 5.64484 8.91602 7.26523 9.03114 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.18707 5.31483 9.67606 5.91786 5.54133 9.41083 4.82909 6.09472 4.45342 6.20658 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 9.18707 5.31483 9.67606 5.91786 5.54133 9.41083 6.68557 12.9952 11.8582 7.83568 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 5.91786 5.31483 9.41083 9.18707 5.54133 9.67606 4.82909 6.20658 4.45342 6.09472 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.47105 11.193 9.2759 12.4593 11.2107 8.76088 5.84146 10.2321 8.99025 8.96061 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 8.21538 6.04551 8.85111 12.9886 9.61687 8.27913 14.1299 15.8237 8.27268 9.36307 numMergedOcc 0
21 mol 182 unq 1 iso 0 dist 5.63632 6.04551 6.38335 12.9886 11.427 8.27913 14.1299 12.9992 8.27268 9.36307 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.24175 11.0439 5.86911 16.1156 8.94237 7.82201 23.285 16.48 17.1162 9.40003 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.46484 5.81446 7.74348 14.2393 15.386 8.63249 18.4732 16.3801 13.6195 9.97357 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 5.46484 5.81446 7.74348 14.2393 15.386 8.63249 12.8358 12.2331 7.45579 6.36941 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 8.80671 14.8289 7.74348 22.3246 15.386 8.63249 21.326 16.3801 13.6195 9.97357 numMergedOcc 0
26 mol 236 unq 3 iso 0 dist 8.80671 14.8289 7.74348 22.3246 15.386 8.63249 17.4543 12.2331 7.45579 6.36941 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 6.93654 6.94755 6.0437 9.66298 4.70691 4.85199 6.39263 8.50313 4.25662 7.6414 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 9.66298 6.94755 4.85199 6.93654 4.70691 6.0437 6.39263 7.6414 4.25662 8.50313 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 4.98604 5.51191 6.45597 10.1896 5.69849 9.18785 8.54773 7.13655 5.37435 8.98486 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 4.98604 5.51191 6.45597 10.1896 5.69849 9.18785 8.54773 7.13655 5.37435 8.98486 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 4.98604 5.51191 6.45597 10.1896 5.69849 9.18785 8.54773 7.13655 5.37435 8.98486 numMergedOcc 0
