0 mol 95 unq 0 iso 0 dist 8.4204 7.84956 12.8132 4.16047 9.49454 11.5783 8.57607 15.7954 10.3056 8.27883 numMergedOcc 0
1 mol 95 unq 1 iso 0 dist 8.4204 7.84956 12.8132 4.16047 9.49454 11.5783 6.1991 10.4348 9.77913 5.75428 numMergedOcc 0
2 mol 95 unq 2 iso 0 dist 8.4204 7.84956 12.8132 4.16047 9.49454 11.5783 5.96246 5.88327 7.51315 8.57395 numMergedOcc 0
3 mol 95 unq 3 iso 0 dist 8.4204 7.84956 12.8132 4.16047 9.49454 11.5783 10.1197 3.96826 16.03 9.85409 numMergedOcc 0
4 mol 95 unq 4 iso 0 dist 8.4204 8.57607 15.7954 4.16047 9.49454 8.27883 6.1991 10.4348 6.27231 5.75428 numMergedOcc 0
5 mol 95 unq 5 iso 0 dist 8.4204 8.57607 15.7954 4.16047 9.49454 8.27883 5.96246 5.88327 11.734 8.57395 numMergedOcc 0
6 mol 95 unq 6 iso 0 dist 8.4204 8.57607 15.7954 4.16047 9.49454 8.27883 10.1197 3.96826 17.4304 9.85409 numMergedOcc 0
7 mol 95 unq 7 iso 0 dist 8.4204 6.1991 10.4348 4.16047 9.49454 5.75428 8.57607 15.7954 6.27231 8.27883 numMergedOcc 0
8 mol 95 unq 8 iso 0 dist 8.4204 6.1991 10.4348 4.16047 9.49454 5.75428 5.96246 5.88327 6.95874 8.57395 numMergedOcc 0
9 mol 95 unq 9 iso 0 dist 8.4204 6.1991 10.4348 4.16047 9.49454 5.75428 10.1197 3.96826 12.3063 9.85409 numMergedOcc 0
10 mol 95 unq 10 iso 0 dist 8.4204 5.96246 5.88327 4.16047 9.49454 8.57395 8.57607 15.7954 11.734 8.27883 numMergedOcc 0
11 mol 95 unq 11 iso 0 dist 8.4204 5.96246 5.88327 4.16047 9.49454 8.57395 6.1991 10.4348 6.95874 5.75428 numMergedOcc 0
12 mol 95 unq 12 iso 0 dist 8.4204 5.96246 5.88327 4.16047 9.49454 8.57395 10.1197 3.96826 9.43547 9.85409 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 5.90686 6.7117 9.81956 6.37954 3.94967 6.70343 5.10496 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.21813 5.91797 3.92737 9.41666 4.47349 7.54889 6.37954 3.94967 6.70343 5.2571 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 5.21813 5.91797 3.92737 9.57791 5.65185 7.78931 6.37954 3.94967 6.70343 8.7497 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 5.21813 6.37954 3.94967 9.41666 4.47349 5.2571 5.91797 3.92737 6.70343 7.54889 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 5.21813 6.37954 3.94967 9.57791 5.65185 8.7497 5.91797 3.92737 6.70343 7.78931 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 7.07625 6.23142 11.0808 6.14652 6.93712 5.83782 9.33094 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 6.08299 7.76446 11.5269 10.4858 9.94764 9.1998 6.14652 6.93712 5.83782 8.69531 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 6.08299 6.14652 6.93712 10.4858 9.94764 8.69531 7.76446 11.5269 5.83782 9.1998 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 4.59843 6.42735 8.97589 8.09403 4.67256 5.33725 5.96423 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 4.59843 6.42735 5.96423 8.33147 3.7949 5.33725 8.97589 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 9.40374 8.73217 10.8806 9.00537 4.03697 7.15345 6.61112 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 6.19189 9.00537 4.03697 6.13422 7.76163 11.651 6.04336 3.78314 7.15345 7.05695 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 8.34668 8.9388 4.03697 10.2733 7.76163 11.651 11.5802 3.78314 7.15345 7.05695 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.32542 9.71147 8.8607 9.40714 6.03688 13.5527 6.32553 5.28417 8.01847 6.52816 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 9.65238 8.38045 5.68665 7.18317 7.37798 9.29723 8.04327 8.75651 5.04116 8.21793 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 7.90349 6.92276 5.2878 6.19292 8.69356 6.29377 10.3067 10.0135 4.8835 8.19317 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 7.30188 5.78671 5.42682 5.8297 8.76935 10.5333 6.56525 3.85188 6.68192 7.10671 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 7.30188 5.78671 5.42682 5.8297 8.76935 10.5333 5.46817 4.21383 4.09189 8.67156 numMergedOcc 0
31 mol 243 unq 2 iso 0 dist 7.30188 6.56525 3.85188 5.8297 8.76935 7.10671 5.46817 4.21383 6.67199 8.67156 numMergedOcc 0
32 mol 243 unq 3 iso 0 dist 7.30188 5.46817 4.21383 5.8297 8.76935 8.67156 6.56525 3.85188 6.67199 7.10671 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 5.02385 9.88022 11.7578 6.07975 7.23721 14.8033 7.26637 4.05042 12.3271 7.24366 numMergedOcc 0
34 mol 279 unq 1 iso 0 dist 5.02385 9.88198 9.85432 6.07975 7.23721 10.2562 7.26637 4.05042 13.095 7.24366 numMergedOcc 0
