0 mol 7 unq 0 iso 0 dist 9.17764 9.69326 8.72114 16.7858 13.8829 7.10621 12.6403 5.5683 9.67164 13.156 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.56483 8.23069 8.70827 7.40392 5.59311 5.54419 10.2624 4.04519 6.6219 4.82629 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.56483 8.23069 8.70827 7.40392 5.59311 5.54419 13.5967 13.7009 5.68215 10.1698 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.56483 8.59466 9.12854 7.40392 5.59311 7.36323 13.1831 9.86385 8.87744 6.28159 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.56483 8.59466 9.12854 7.40392 5.59311 7.36323 11.0243 10.4353 7.27472 5.50396 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.4204 4.16047 9.49454 7.90775 13.3662 9.03572 8.57607 15.7954 8.27883 4.99174 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.4204 4.16047 9.49454 7.90775 13.3662 9.03572 6.1991 10.4348 5.75428 4.46005 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 8.4204 4.16047 9.49454 7.90775 13.3662 9.03572 5.96246 5.88327 8.57395 8.28518 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 8.4204 4.16047 9.49454 7.90775 13.3662 9.03572 10.1197 3.96826 9.85409 15.917 numMergedOcc 0
9 mol 95 unq 4 iso 0 dist 8.4204 4.16047 9.49454 9.96562 12.0666 8.83255 8.57607 15.7954 8.27883 8.67311 numMergedOcc 0
10 mol 95 unq 5 iso 0 dist 8.4204 4.16047 9.49454 9.96562 12.0666 8.83255 6.1991 10.4348 5.75428 3.94293 numMergedOcc 0
11 mol 95 unq 6 iso 0 dist 8.4204 4.16047 9.49454 9.96562 12.0666 8.83255 5.96246 5.88327 8.57395 9.22202 numMergedOcc 0
12 mol 95 unq 7 iso 0 dist 8.4204 4.16047 9.49454 9.96562 12.0666 8.83255 10.1197 3.96826 9.85409 13.7484 numMergedOcc 0
13 mol 95 unq 8 iso 0 dist 8.4204 4.16047 9.49454 11.3191 11.4333 8.03644 8.57607 15.7954 8.27883 15.6249 numMergedOcc 0
14 mol 95 unq 9 iso 0 dist 8.4204 4.16047 9.49454 11.3191 11.4333 8.03644 6.1991 10.4348 5.75428 12.4896 numMergedOcc 0
15 mol 95 unq 10 iso 0 dist 8.4204 4.16047 9.49454 11.3191 11.4333 8.03644 5.96246 5.88327 8.57395 14.2178 numMergedOcc 0
16 mol 95 unq 11 iso 0 dist 8.4204 4.16047 9.49454 11.3191 11.4333 8.03644 10.1197 3.96826 9.85409 8.78079 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.21813 5.90686 6.7117 9.32725 7.06961 5.08437 6.37954 3.94967 5.10496 3.9764 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.21813 9.41666 4.47349 9.32725 7.06961 6.10456 5.91797 3.92737 7.54889 10.4782 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 5.21813 9.41666 4.47349 9.32725 7.06961 6.10456 6.37954 3.94967 5.2571 3.9764 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.89276 12.4645 6.7117 10.6719 7.06961 5.08437 10.0215 3.94967 5.10496 3.9764 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 7.89276 4.89219 4.47349 10.6719 7.06961 6.10456 9.93764 3.92737 7.54889 10.4782 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.89276 4.89219 4.47349 10.6719 7.06961 6.10456 10.0215 3.94967 5.2571 3.9764 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 8.49444 12.9469 8.8822 10.8115 10.1816 5.86073 5.32773 7.1951 8.80934 5.70579 numMergedOcc 0
24 mol 113 unq 1 iso 0 dist 5.55446 12.9469 9.66219 10.8115 8.42718 5.86073 5.32773 3.84573 8.80934 5.70579 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.85849 10.879 6.23142 10.9216 4.57832 8.94367 14.395 6.93712 9.33094 7.41373 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 7.85849 10.879 6.23142 8.84656 5.29786 6.37586 14.395 6.93712 9.33094 10.8635 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.85849 10.879 6.23142 4.9155 5.71679 6.49416 14.395 6.93712 9.33094 12.3479 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.85849 16.7911 9.94764 10.9216 4.57832 9.86662 18.4308 11.5269 9.1998 12.8086 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 7.85849 16.7911 9.94764 10.9216 4.57832 9.86662 14.395 6.93712 8.69531 7.41373 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 7.85849 16.7911 9.94764 8.84656 5.29786 9.71307 18.4308 11.5269 9.1998 15.0225 numMergedOcc 0
31 mol 134 unq 6 iso 0 dist 7.85849 16.7911 9.94764 8.84656 5.29786 9.71307 14.395 6.93712 8.69531 10.8635 numMergedOcc 0
32 mol 134 unq 7 iso 0 dist 6.08299 7.07625 6.23142 9.79337 4.57832 8.94367 6.14652 6.93712 9.33094 7.41373 numMergedOcc 0
33 mol 134 unq 8 iso 0 dist 6.08299 7.07625 6.23142 10.5814 5.29786 6.37586 6.14652 6.93712 9.33094 10.8635 numMergedOcc 0
34 mol 134 unq 9 iso 0 dist 6.08299 7.07625 6.23142 9.42271 5.71679 6.49416 6.14652 6.93712 9.33094 12.3479 numMergedOcc 0
35 mol 134 unq 10 iso 0 dist 6.08299 10.4858 9.94764 9.79337 4.57832 9.86662 7.76446 11.5269 9.1998 12.8086 numMergedOcc 0
36 mol 134 unq 11 iso 0 dist 6.08299 10.4858 9.94764 9.79337 4.57832 9.86662 6.14652 6.93712 8.69531 7.41373 numMergedOcc 0
37 mol 134 unq 12 iso 0 dist 6.08299 10.4858 9.94764 10.5814 5.29786 9.71307 7.76446 11.5269 9.1998 15.0225 numMergedOcc 0
38 mol 134 unq 13 iso 0 dist 6.08299 10.4858 9.94764 10.5814 5.29786 9.71307 6.14652 6.93712 8.69531 10.8635 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 6.19189 9.40374 8.73217 10.8152 11.7429 7.54065 9.00537 4.03697 6.61112 11.0961 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 8.34668 12.4751 8.73217 18.4039 11.7429 7.54065 8.9388 4.03697 6.61112 11.0961 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 6.32542 9.40714 6.03688 13.7769 8.15057 6.03031 6.32553 5.28417 6.52816 9.49403 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 6.32542 9.40714 6.03688 16.4532 12.4957 7.26832 6.32553 5.28417 6.52816 13.514 numMergedOcc 0
43 mol 205 unq 2 iso 0 dist 6.32542 9.40714 6.03688 9.25882 6.09749 7.80463 6.32553 5.28417 6.52816 3.56269 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 6.97527 5.18833 9.24557 10.5161 14.7883 5.72887 12.9852 17.1065 9.72188 7.06793 numMergedOcc 0
45 mol 243 unq 0 iso 0 dist 7.30188 5.8297 8.76935 10.8689 6.60697 8.23192 6.56525 3.85188 7.10671 5.74165 numMergedOcc 0
46 mol 243 unq 1 iso 0 dist 7.30188 5.8297 8.76935 10.8689 6.60697 8.23192 5.46817 4.21383 8.67156 9.89868 numMergedOcc 0
