0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.48342 4.39605 12.1303 12.2746 9.91086 17.0279 6.31608 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 7.48342 12.1303 4.39605 12.2746 17.0279 9.91086 6.31608 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 13.2846 16.3188 19.2143 7.85986 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 13.2846 19.2143 16.3188 7.85986 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 12.3897 12.0986 16.6275 4.30252 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 12.3897 16.6275 12.0986 4.30252 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 6.7846 8.23075 10.551 7.85986 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 6.7846 10.551 8.23075 7.85986 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 8.03955 4.7841 14.1707 4.30252 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 8.03955 14.1707 4.7841 4.30252 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 4.59417 9.23438 9.9105 6.41008 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 4.59417 9.9105 9.23438 6.41008 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 4.59417 9.23438 7.17488 6.41008 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 4.59417 7.17488 9.23438 6.41008 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 4.59417 9.9105 7.17488 6.41008 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 4.59417 7.17488 9.9105 6.41008 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 11.9949 15.4008 16.4749 8.04853 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 9.82915 13.5116 9.29301 11.9949 16.4749 15.4008 8.04853 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 13.3089 12.1279 14.5106 6.46549 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 7.47541 7.97049 6.9948 9.82915 13.5116 9.29301 13.3089 14.5106 12.1279 6.46549 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 9.61051 5.83384 9.05135 6.28565 6.30169 4.55551 10.3933 13.1959 12.0878 8.98175 numMergedOcc 0
21 mol 129 unq 0 iso 1 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 10.3933 12.0878 13.1959 8.98175 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 8.90963 8.91338 9.81073 11.618 11.8368 15.9184 9.20617 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 8.90963 9.81073 8.91338 11.618 15.9184 11.8368 9.20617 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 8.90963 8.91338 9.34211 11.618 11.8368 17.4077 9.20617 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 9.15386 9.1374 12.1628 8.90963 9.34211 8.91338 11.618 17.4077 11.8368 9.20617 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 8.90963 9.81073 9.34211 11.618 15.9184 17.4077 9.20617 numMergedOcc 0
27 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 8.90963 9.34211 9.81073 11.618 17.4077 15.9184 9.20617 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 6.03688 8.15057 12.4957 6.49049 11.5794 13.4668 5.59832 numMergedOcc 0
29 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 6.03688 12.4957 8.15057 6.49049 13.4668 11.5794 5.59832 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 6.03688 8.15057 6.09749 6.49049 11.5794 8.26637 5.59832 numMergedOcc 0
31 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 6.03688 6.09749 8.15057 6.49049 8.26637 11.5794 5.59832 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.03688 12.4957 6.09749 6.49049 13.4668 8.26637 5.59832 numMergedOcc 0
33 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 6.03688 6.09749 12.4957 6.49049 8.26637 13.4668 5.59832 numMergedOcc 0
34 mol 205 unq 2 iso 0 dist 9.61492 7.45763 11.8283 4.8668 9.13652 5.8535 7.35363 13.8425 12.5568 7.75318 numMergedOcc 0
35 mol 205 unq 2 iso 1 dist 7.45763 9.61492 11.8283 4.8668 5.8535 9.13652 7.35363 12.5568 13.8425 7.75318 numMergedOcc 0
36 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 7.75885 12.7604 6.45859 3.56132 11.2388 11.1153 7.9416 numMergedOcc 0
37 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 7.75885 6.45859 12.7604 3.56132 11.1153 11.2388 7.9416 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 9.07471 7.75466 13.3447 6.70898 10.2446 14.0871 9.30639 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 7.54212 6.00706 6.8425 9.07471 13.3447 7.75466 6.70898 14.0871 10.2446 9.30639 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 7.57994 6.18582 5.01979 5.48118 10.7772 7.04666 10.3504 14.0808 12.9043 8.76518 numMergedOcc 0
41 mol 249 unq 0 iso 1 dist 6.18582 7.57994 5.01979 5.48118 7.04666 10.7772 10.3504 12.9043 14.0808 8.76518 numMergedOcc 0
