0 mol 14 unq 0 iso 0 dist 6.30573 7.95811 9.58196 4.81121 9.7022 5.53425 10.4238 5.76302 8.84686 11.9706 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 6.30573 7.95811 9.58196 6.24146 9.04767 4.53725 10.4238 5.76302 8.84686 9.6726 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.06561 5.46498 5.32694 12.8674 9.81307 8.43054 11.1513 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 8.02077 8.71745 10.4155 12.8674 9.81307 8.43054 16.7405 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 12.3852 8.62476 7.57295 12.8147 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 12.3852 8.62476 7.57295 8.4312 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 8.8058 10.0675 8.7531 5.09908 8.33063 7.29309 12.3852 8.62476 8.4312 12.8147 numMergedOcc 0
7 mol 60 unq 3 iso 0 dist 8.8058 10.0675 8.7531 12.5818 6.43294 5.67502 12.3852 8.62476 8.4312 7.57295 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 5.75796 7.47541 5.42586 10.8478 5.59906 7.7068 10.2413 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 9.77828 5.73196 10.1164 10.8478 5.59906 7.7068 11.2056 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 12.6939 8.31336 5.57085 15.8947 12.1193 7.80898 12.785 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 15.1845 15.6249 8.27883 15.6447 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 15.1965 12.4896 5.75428 14.0772 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 20.1016 14.2178 8.57395 14.1515 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 17.7481 8.78079 9.85409 10.3132 numMergedOcc 0
15 mol 95 unq 4 iso 0 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 18.674 11.3215 9.3948 19.7448 numMergedOcc 0
16 mol 95 unq 5 iso 0 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 11.3773 5.06946 9.74607 11.97 numMergedOcc 0
17 mol 95 unq 6 iso 0 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 18.674 11.3215 9.3948 19.9408 numMergedOcc 0
18 mol 95 unq 7 iso 0 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 11.3773 5.06946 9.74607 13.5721 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.64822 7.88312 7.69052 14.1895 6.07067 6.39384 9.42082 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 14.5979 11.835 7.69765 13.4105 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 14.1895 6.07067 9.42082 6.39384 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 5.38237 7.24514 6.65743 9.7105 6.9945 7.22643 10.4642 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 16.1624 10.8635 9.33094 8.69531 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 9.52819 6.37586 6.81259 19.6139 15.0225 9.1998 11.0808 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 9.52819 6.37586 6.81259 16.1624 10.8635 8.69531 9.33094 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 16.1624 12.3479 9.33094 11.2896 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 8.69148 9.97859 7.21333 6.52189 8.01589 13.3522 13.422 6.84862 5.56538 14.4477 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 8.69148 9.97859 7.21333 6.52189 8.01589 13.3522 15.096 9.53117 7.48954 16.3082 numMergedOcc 0
29 mol 222 unq 2 iso 0 dist 8.69148 9.97859 7.21333 5.33282 7.7699 5.24516 13.422 6.84862 5.56538 10.0233 numMergedOcc 0
30 mol 222 unq 3 iso 0 dist 8.69148 9.97859 7.21333 5.33282 7.7699 5.24516 15.096 9.53117 7.48954 11.839 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 7.04127 4.55824 6.61986 11.7724 9.40098 9.54151 5.36326 5.13732 8.08349 11.2501 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 6.73134 5.52669 8.04248 5.27568 8.35971 7.43758 9.67162 4.66414 8.23087 11.5798 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 12.7595 7.88519 4.69778 15.148 8.8603 9.07743 7.66153 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 13.0667 7.20604 9.63573 12.8229 numMergedOcc 0
35 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 15.148 8.8603 7.66153 9.07743 numMergedOcc 0
36 mol 280 unq 0 iso 0 dist 8.27417 12.0417 6.53701 7.26698 6.0664 5.51836 11.3818 4.90315 6.02353 6.86234 numMergedOcc 0
37 mol 280 unq 1 iso 0 dist 8.27417 7.26698 6.0664 12.0417 6.53701 5.51836 11.3818 4.90315 6.86234 6.02353 numMergedOcc 0
