0 mol 17 unq 0 iso 0 dist 9.78918 8.32923 7.82406 10.8117 7.25951 6.31299 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.80314 8.32923 9.877 10.8117 7.92012 6.31299 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 7.46244 6.56527 11.553 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.66506 13.1044 7.10439 12.6525 8.87464 9.79695 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.18097 12.8729 6.05495 5.25569 9.66222 13.3263 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 8.83135 3.97167 6.05495 16.1324 9.66222 13.3263 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 4.86767 10.8755 9.83981 6.72133 8.42878 16.0864 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 4.86767 5.27861 6.13559 6.72133 8.42878 11.1434 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 4.86767 4.8628 6.51395 6.72133 8.42878 4.41568 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 8.03113 8.2258 7.35992 13.3662 8.38606 6.10081 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 8.03113 11.1305 6.49383 13.3662 8.38606 4.94926 numMergedOcc 0
11 mol 116 unq 2 iso 0 dist 9.2638 10.3223 7.35992 10.4136 8.38606 6.10081 numMergedOcc 0
12 mol 116 unq 3 iso 0 dist 9.2638 12.8624 6.49383 10.4136 8.38606 4.94926 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.36723 5.73251 6.71555 5.65957 8.42748 6.61001 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.09776 8.91682 9.3402 4.44921 6.38324 5.63279 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.57575 11.7133 9.3402 8.8996 6.38324 5.63279 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 9.30761 4.90091 9.3402 8.70006 6.38324 5.63279 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.27761 4.87212 7.17337 8.33098 9.78181 5.12599 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 8.27761 4.87212 7.17337 17.7633 9.8664 16.1253 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 6.77259 5.18289 9.71152 9.63118 7.00243 9.15303 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 9.38952 9.6632 5.80452 5.87081 6.73712 4.12456 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 9.38952 9.6632 5.80452 10.1012 9.35704 10.4684 numMergedOcc 0
22 mol 280 unq 2 iso 0 dist 9.38952 12.7222 7.82157 5.87081 6.73712 9.56032 numMergedOcc 0
23 mol 280 unq 3 iso 0 dist 9.38952 12.7222 7.82157 10.1012 9.35704 6.37191 numMergedOcc 0
24 mol 280 unq 4 iso 0 dist 7.42529 5.97333 5.80452 7.98547 6.73712 4.12456 numMergedOcc 0
25 mol 280 unq 5 iso 0 dist 7.42529 5.97333 5.80452 15.5627 9.35704 10.4684 numMergedOcc 0
26 mol 280 unq 6 iso 0 dist 7.42529 11.9982 7.82157 7.98547 6.73712 9.56032 numMergedOcc 0
27 mol 280 unq 7 iso 0 dist 7.42529 11.9982 7.82157 15.5627 9.35704 6.37191 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 4.87349 5.83318 6.61376 6.50962 7.34931 6.76453 numMergedOcc 0
