0 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 16.2349 9.96708 12.111 13.9281 5.69391 4.85556 9.55118 numMergedOcc 0
1 mol 72 unq 1 iso 0 dist 9.43143 9.73435 4.03844 16.2349 9.96708 12.111 22.0093 13.4212 13.9899 9.10345 numMergedOcc 0
2 mol 72 unq 2 iso 0 dist 5.48831 9.20886 7.07356 13.0773 9.96708 12.1131 11.3204 7.47371 5.75711 7.12321 numMergedOcc 0
3 mol 72 unq 3 iso 0 dist 5.48831 9.20886 7.07356 10.5933 9.78528 7.66093 11.3204 7.47371 5.75711 6.21799 numMergedOcc 0
4 mol 72 unq 4 iso 0 dist 5.48831 9.20886 7.07356 10.5933 9.78528 7.66093 12.3271 9.67587 5.26077 5.03251 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.90775 7.84956 7.45908 4.16047 9.03572 11.5783 8.57607 4.99174 10.3056 8.27883 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 7.90775 7.84956 7.45908 4.16047 9.03572 11.5783 6.1991 4.46005 9.77913 5.75428 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 7.90775 7.84956 7.45908 4.16047 9.03572 11.5783 5.96246 8.28518 7.51315 8.57395 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 7.90775 7.84956 7.45908 4.16047 9.03572 11.5783 10.1197 15.917 16.03 9.85409 numMergedOcc 0
9 mol 95 unq 4 iso 0 dist 7.90775 8.57607 4.99174 4.16047 9.03572 8.27883 6.1991 4.46005 6.27231 5.75428 numMergedOcc 0
10 mol 95 unq 5 iso 0 dist 7.90775 8.57607 4.99174 4.16047 9.03572 8.27883 5.96246 8.28518 11.734 8.57395 numMergedOcc 0
11 mol 95 unq 6 iso 0 dist 7.90775 8.57607 4.99174 4.16047 9.03572 8.27883 10.1197 15.917 17.4304 9.85409 numMergedOcc 0
12 mol 95 unq 7 iso 0 dist 7.90775 6.1991 4.46005 4.16047 9.03572 5.75428 8.57607 4.99174 6.27231 8.27883 numMergedOcc 0
13 mol 95 unq 8 iso 0 dist 7.90775 6.1991 4.46005 4.16047 9.03572 5.75428 5.96246 8.28518 6.95874 8.57395 numMergedOcc 0
14 mol 95 unq 9 iso 0 dist 7.90775 6.1991 4.46005 4.16047 9.03572 5.75428 10.1197 15.917 12.3063 9.85409 numMergedOcc 0
15 mol 95 unq 10 iso 0 dist 7.90775 5.96246 8.28518 4.16047 9.03572 8.57395 8.57607 4.99174 11.734 8.27883 numMergedOcc 0
16 mol 95 unq 11 iso 0 dist 7.90775 5.96246 8.28518 4.16047 9.03572 8.57395 6.1991 4.46005 6.95874 5.75428 numMergedOcc 0
17 mol 95 unq 12 iso 0 dist 7.90775 5.96246 8.28518 4.16047 9.03572 8.57395 10.1197 15.917 9.43547 9.85409 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 7.07625 6.49416 11.0808 6.14652 12.3479 5.83782 9.33094 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 5.79157 7.96353 10.7951 13.0109 9.86662 19.209 8.8437 4.00092 13.2476 7.21868 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 5.79157 7.96353 10.7951 14.1608 9.71307 20.4188 14.4761 10.2026 19.3899 9.33924 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 5.79157 7.96353 10.7951 14.1608 9.71307 20.4188 8.8437 4.00092 13.2476 7.93372 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 5.65129 8.56324 6.59889 9.83462 4.84714 3.55572 8.9192 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 8.34839 9.83462 4.84714 5.65129 8.56324 8.9192 9.4275 5.39112 3.55572 6.59889 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 8.34839 9.83462 4.84714 10.5295 6.70283 9.27706 9.4275 5.39112 3.55572 6.70693 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 14.4072 6.69288 15.7548 10.9114 6.42973 10.4045 7.06025 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.25882 9.71147 6.95738 9.40714 7.80463 13.5527 6.32553 3.56269 8.01847 6.52816 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 6.32302 6.92268 4.17276 6.52416 8.22528 10.3243 9.90415 5.70473 9.01727 7.27993 numMergedOcc 0
28 mol 229 unq 1 iso 0 dist 6.88694 6.92268 4.92403 6.52416 7.03423 10.3243 9.90415 7.22525 9.01727 7.27993 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 12.8358 6.27581 15.106 14.8517 10.5774 13.5119 9.3206 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 7.80612 9.89379 4.81639 9.62983 8.23192 11.4025 12.6512 5.71505 6.26616 8.69318 numMergedOcc 0
31 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 7.63032 7.69895 10.6429 11.6204 4.58289 11.7477 9.05018 numMergedOcc 0
