0 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 8.89145 5.7343 13.2274 10.8849 19.557 9.42634 18.4744 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.00925 8.68949 16.2669 6.92865 11.3728 8.33226 10.8849 19.557 9.42634 11.7054 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.26685 7.34681 9.4204 6.53817 11.7814 13.5023 4.2802 12.5103 6.64199 9.79861 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 9.26685 7.34681 9.4204 9.81769 14.8418 15.703 4.2802 12.5103 6.64199 11.8505 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 4.83638 11.087 9.11745 13.1097 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 5.2103 10.9758 4.62145 10.8573 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 14.1481 16.9608 9.71995 20.1154 numMergedOcc 0
7 mol 42 unq 0 iso 0 dist 8.84148 5.52834 5.21506 8.52254 6.73507 4.38082 10.1829 14.4319 9.39402 10.8878 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 15.1442 16.9082 7.90416 18.8726 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 4.89976 13.0903 9.74553 9.3774 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 15.1442 9.77004 7.90416 18.8726 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 4.89976 8.36323 9.74553 9.3774 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.26938 5.39287 5.30415 13.3292 14.4582 9.20673 11.5979 numMergedOcc 0
13 mol 87 unq 1 iso 0 dist 9.10245 9.90256 5.83874 8.91602 11.6194 11.2095 13.3292 14.4582 9.20673 15.5042 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 5.72803 8.2575 5.87382 9.20432 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 6.65963 5.38 4.98711 3.75302 12.5105 8.95465 10.2978 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 3.75302 12.5105 8.95465 11.0803 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 7.60912 9.9368 13.4546 8.55431 8.50143 7.18851 13.1056 19.296 8.61788 13.3498 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 8.58946 13.1346 4.70374 6.39898 14.9436 7.20131 6.83528 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 6.99623 6.3719 5.25279 8.09407 12.9744 8.92335 12.2312 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 4.45276 10.1927 9.62914 12.7396 numMergedOcc 0
21 mol 230 unq 1 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 15.7177 17.788 9.73038 21.2191 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 4.30068 12.8603 7.14871 8.24356 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 6.7897 6.58925 4.37855 9.48968 5.71767 9.49279 14.7035 12.9128 9.39268 18.3627 numMergedOcc 0
