0 mol 7 unq 0 iso 0 dist 7.21217 5.07985 6.1206 6.83196 7.67927 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.21217 6.83196 7.67927 5.07985 6.1206 4.80709 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 10.5945 8.09311 17.5782 9.05357 9.95274 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.90845 17.5782 9.05357 10.5945 8.09311 9.95274 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.56737 5.04521 8.96727 10.2341 8.01308 6.20884 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 9.56737 10.2341 8.01308 5.04521 8.96727 6.20884 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 6.27749 4.44758 9.95132 7.32774 7.48086 8.42811 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 6.27749 7.32774 7.48086 4.44758 9.95132 8.42811 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.21889 10.4255 6.29161 14.5244 7.86666 7.49425 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 8.21889 14.5244 7.86666 10.4255 6.29161 7.49425 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.29026 5.04019 6.69691 4.79473 5.51197 5.94312 numMergedOcc 0
11 mol 129 unq 0 iso 1 dist 6.29026 4.79473 5.51197 5.04019 6.69691 5.94312 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.29026 5.04019 6.69691 10.1802 8.86944 5.35495 numMergedOcc 0
13 mol 129 unq 1 iso 1 dist 6.29026 10.1802 8.86944 5.04019 6.69691 5.35495 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 6.29026 4.79473 5.51197 10.1802 8.86944 9.74141 numMergedOcc 0
15 mol 129 unq 1 iso 1 dist 6.29026 10.1802 8.86944 4.79473 5.51197 9.74141 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 7.57458 9.23267 7.81207 13.4776 7.18002 13.4681 numMergedOcc 0
17 mol 142 unq 0 iso 1 dist 7.57458 13.4776 7.18002 9.23267 7.81207 13.4681 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.89982 9.0696 6.59889 9.83062 8.9192 3.55572 numMergedOcc 0
19 mol 152 unq 0 iso 1 dist 8.89982 9.83062 8.9192 9.0696 6.59889 3.55572 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.66381 6.01218 7.2793 5.27656 9.51091 3.47886 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 7.66381 5.27656 9.51091 6.01218 7.2793 3.47886 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 7.66381 6.01218 7.2793 13.9441 7.85184 12.5618 numMergedOcc 0
23 mol 186 unq 1 iso 1 dist 7.66381 13.9441 7.85184 6.01218 7.2793 12.5618 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 7.66381 5.27656 9.51091 13.9441 7.85184 14.2448 numMergedOcc 0
25 mol 186 unq 1 iso 1 dist 7.66381 13.9441 7.85184 5.27656 9.51091 14.2448 numMergedOcc 0
26 mol 207 unq 0 iso 0 dist 8.09522 5.15938 9.98372 7.6274 9.1528 4.66347 numMergedOcc 0
27 mol 207 unq 0 iso 1 dist 8.09522 7.6274 9.1528 5.15938 9.98372 4.66347 numMergedOcc 0
28 mol 207 unq 1 iso 0 dist 5.08312 4.43093 5.12567 5.15938 6.0563 6.07936 numMergedOcc 0
29 mol 207 unq 1 iso 1 dist 5.08312 5.15938 6.0563 4.43093 5.12567 6.07936 numMergedOcc 0
30 mol 207 unq 2 iso 0 dist 5.08312 4.43093 5.12567 7.6274 8.1244 10.1734 numMergedOcc 0
31 mol 207 unq 2 iso 1 dist 5.08312 7.6274 8.1244 4.43093 5.12567 10.1734 numMergedOcc 0
32 mol 207 unq 2 iso 0 dist 5.08312 5.15938 6.0563 7.6274 8.1244 4.66347 numMergedOcc 0
33 mol 207 unq 2 iso 1 dist 5.08312 7.6274 8.1244 5.15938 6.0563 4.66347 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 8.39425 4.7404 9.20104 5.11711 9.58404 5.77461 numMergedOcc 0
35 mol 220 unq 0 iso 1 dist 8.39425 5.11711 9.58404 4.7404 9.20104 5.77461 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 8.7347 15.1289 6.74196 13.6078 8.36842 8.10209 numMergedOcc 0
37 mol 222 unq 0 iso 1 dist 8.7347 13.6078 8.36842 15.1289 6.74196 8.10209 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 8.7347 15.1289 6.74196 13.6261 9.75472 9.49218 numMergedOcc 0
39 mol 222 unq 1 iso 1 dist 8.7347 13.6261 9.75472 15.1289 6.74196 9.49218 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 8.7347 13.6078 8.36842 13.6261 9.75472 3.53707 numMergedOcc 0
41 mol 222 unq 1 iso 1 dist 8.7347 13.6261 9.75472 13.6078 8.36842 3.53707 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 7.2346 5.39025 5.1823 4.3433 5.70635 4.8835 numMergedOcc 0
43 mol 235 unq 0 iso 1 dist 7.2346 4.3433 5.70635 5.39025 5.1823 4.8835 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 9.58006 12.7528 9.63573 9.90573 7.66153 10.3051 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 9.58006 9.90573 7.66153 12.7528 9.63573 10.3051 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 7.93997 7.06301 5.85442 7.80863 6.95511 3.51848 numMergedOcc 0
47 mol 259 unq 1 iso 1 dist 7.93997 7.80863 6.95511 7.06301 5.85442 3.51848 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 6.00877 15.2854 9.30212 5.9397 6.4611 13.5848 numMergedOcc 0
49 mol 274 unq 0 iso 1 dist 6.00877 5.9397 6.4611 15.2854 9.30212 13.5848 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 8.66451 16.784 9.30212 4.89003 6.4611 13.5848 numMergedOcc 0
51 mol 274 unq 1 iso 1 dist 8.66451 4.89003 6.4611 16.784 9.30212 13.5848 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 9.02914 13.3706 5.46926 12.1739 5.13913 3.39114 numMergedOcc 0
53 mol 277 unq 0 iso 1 dist 9.02914 12.1739 5.13913 13.3706 5.46926 3.39114 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 6.90434 8.51268 9.35539 13.3706 8.9682 16.9644 numMergedOcc 0
55 mol 277 unq 1 iso 1 dist 6.90434 13.3706 8.9682 8.51268 9.35539 16.9644 numMergedOcc 0
56 mol 277 unq 2 iso 0 dist 6.90434 8.51268 9.35539 12.1739 6.92711 15.8851 numMergedOcc 0
57 mol 277 unq 2 iso 1 dist 6.90434 12.1739 6.92711 8.51268 9.35539 15.8851 numMergedOcc 0
58 mol 277 unq 2 iso 0 dist 6.90434 13.3706 8.9682 12.1739 6.92711 3.39114 numMergedOcc 0
59 mol 277 unq 2 iso 1 dist 6.90434 12.1739 6.92711 13.3706 8.9682 3.39114 numMergedOcc 0
