0 mol 2 unq 0 iso 0 dist 5.42021 9.78005 6.93149 8.35692 9.39095 16.1725 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 5.42021 9.39095 8.35692 6.93149 9.78005 16.1725 numMergedOcc 0
2 mol 2 unq 1 iso 0 dist 5.42021 6.89072 4.00237 8.35692 9.39095 7.2721 numMergedOcc 0
3 mol 2 unq 1 iso 1 dist 5.42021 9.39095 8.35692 4.00237 6.89072 7.2721 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.81747 4.90216 4.82623 7.53537 9.34271 11.698 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 5.81747 9.34271 7.53537 4.82623 4.90216 11.698 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 5.81747 9.84217 8.76577 7.53537 9.34271 11.961 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 5.81747 9.34271 7.53537 8.76577 9.84217 11.961 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.74131 9.853 7.37828 6.82396 7.06029 13.3688 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 7.74131 7.06029 6.82396 7.37828 9.853 13.3688 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.59503 7.29864 13.947 8.46944 5.04673 14.2282 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.59503 5.04673 8.46944 13.947 7.29864 14.2282 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.59503 7.7399 14.5986 8.46944 5.04673 10.8202 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 9.59503 5.04673 8.46944 14.5986 7.7399 10.8202 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.64281 9.86767 3.77247 5.96967 7.08403 7.02358 numMergedOcc 0
15 mol 113 unq 0 iso 1 dist 9.64281 7.08403 5.96967 3.77247 9.86767 7.02358 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 8.43293 9.58434 6.03314 3.71884 8.03124 9.31385 numMergedOcc 0
17 mol 120 unq 0 iso 1 dist 8.43293 8.03124 3.71884 6.03314 9.58434 9.31385 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 8.43293 9.16089 4.74539 3.71884 8.03124 6.98791 numMergedOcc 0
19 mol 120 unq 1 iso 1 dist 8.43293 8.03124 3.71884 4.74539 9.16089 6.98791 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 9.76722 6.48066 7.13766 3.56227 8.97414 5.86767 numMergedOcc 0
21 mol 168 unq 0 iso 1 dist 9.76722 8.97414 3.56227 7.13766 6.48066 5.86767 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 9.76722 6.48066 7.13766 6.15982 8.00063 8.89343 numMergedOcc 0
23 mol 168 unq 1 iso 1 dist 9.76722 8.00063 6.15982 7.13766 6.48066 8.89343 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 9.83308 9.58901 3.89732 5.74428 7.33643 6.96715 numMergedOcc 0
25 mol 169 unq 0 iso 1 dist 9.83308 7.33643 5.74428 3.89732 9.58901 6.96715 numMergedOcc 0
26 mol 169 unq 1 iso 0 dist 8.44483 7.50458 3.69097 4.24401 7.78577 5.10589 numMergedOcc 0
27 mol 169 unq 1 iso 1 dist 8.44483 7.78577 4.24401 3.69097 7.50458 5.10589 numMergedOcc 0
28 mol 169 unq 2 iso 0 dist 8.44483 5.79554 7.14832 4.24401 7.78577 4.63336 numMergedOcc 0
29 mol 169 unq 2 iso 1 dist 8.44483 7.78577 4.24401 7.14832 5.79554 4.63336 numMergedOcc 0
30 mol 169 unq 3 iso 0 dist 8.44483 4.22003 8.01356 4.24401 7.78577 6.10715 numMergedOcc 0
31 mol 169 unq 3 iso 1 dist 8.44483 7.78577 4.24401 8.01356 4.22003 6.10715 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 5.44125 7.16035 3.4049 5.27311 8.00119 10.9876 numMergedOcc 0
33 mol 183 unq 0 iso 1 dist 5.44125 8.00119 5.27311 3.4049 7.16035 10.9876 numMergedOcc 0
34 mol 183 unq 1 iso 0 dist 5.44125 7.16035 3.4049 6.58331 5.50896 8.90812 numMergedOcc 0
35 mol 183 unq 1 iso 1 dist 5.44125 5.50896 6.58331 3.4049 7.16035 8.90812 numMergedOcc 0
36 mol 183 unq 2 iso 0 dist 5.44125 6.2675 7.30851 5.27311 8.00119 11.4893 numMergedOcc 0
37 mol 183 unq 2 iso 1 dist 5.44125 8.00119 5.27311 7.30851 6.2675 11.4893 numMergedOcc 0
38 mol 183 unq 3 iso 0 dist 5.44125 6.2675 7.30851 6.58331 5.50896 11.6584 numMergedOcc 0
39 mol 183 unq 3 iso 1 dist 5.44125 5.50896 6.58331 7.30851 6.2675 11.6584 numMergedOcc 0
40 mol 183 unq 4 iso 0 dist 7.11505 9.61725 3.4049 3.84394 8.00119 10.9876 numMergedOcc 0
41 mol 183 unq 4 iso 1 dist 7.11505 8.00119 3.84394 3.4049 9.61725 10.9876 numMergedOcc 0
42 mol 183 unq 5 iso 0 dist 7.11505 9.61725 3.4049 5.46887 5.50896 8.90812 numMergedOcc 0
43 mol 183 unq 5 iso 1 dist 7.11505 5.50896 5.46887 3.4049 9.61725 8.90812 numMergedOcc 0
44 mol 183 unq 6 iso 0 dist 7.11505 9.52042 7.30851 3.84394 8.00119 11.4893 numMergedOcc 0
45 mol 183 unq 6 iso 1 dist 7.11505 8.00119 3.84394 7.30851 9.52042 11.4893 numMergedOcc 0
46 mol 183 unq 7 iso 0 dist 7.11505 9.52042 7.30851 5.46887 5.50896 11.6584 numMergedOcc 0
47 mol 183 unq 7 iso 1 dist 7.11505 5.50896 5.46887 7.30851 9.52042 11.6584 numMergedOcc 0
48 mol 183 unq 8 iso 0 dist 8.7143 9.01531 3.4049 11.4328 8.00119 10.9876 numMergedOcc 0
49 mol 183 unq 8 iso 1 dist 8.7143 8.00119 11.4328 3.4049 9.01531 10.9876 numMergedOcc 0
50 mol 183 unq 9 iso 0 dist 8.7143 9.01531 3.4049 11.1045 5.50896 8.90812 numMergedOcc 0
51 mol 183 unq 9 iso 1 dist 8.7143 5.50896 11.1045 3.4049 9.01531 8.90812 numMergedOcc 0
52 mol 185 unq 0 iso 0 dist 9.56016 9.1549 8.58853 5.80135 8.07469 12.1031 numMergedOcc 0
53 mol 185 unq 0 iso 1 dist 9.56016 8.07469 5.80135 8.58853 9.1549 12.1031 numMergedOcc 0
54 mol 196 unq 0 iso 0 dist 7.556 6.10505 7.96489 12.9475 8.3151 15.6449 numMergedOcc 0
55 mol 196 unq 0 iso 1 dist 7.556 8.3151 12.9475 7.96489 6.10505 15.6449 numMergedOcc 0
56 mol 232 unq 0 iso 0 dist 5.29561 8.00949 8.56792 5.28999 9.4726 13.0017 numMergedOcc 0
57 mol 232 unq 0 iso 1 dist 5.29561 9.4726 5.28999 8.56792 8.00949 13.0017 numMergedOcc 0
58 mol 232 unq 1 iso 0 dist 5.29561 8.19257 5.75118 5.28999 9.4726 10.1706 numMergedOcc 0
59 mol 232 unq 1 iso 1 dist 5.29561 9.4726 5.28999 5.75118 8.19257 10.1706 numMergedOcc 0
60 mol 232 unq 2 iso 0 dist 9.16638 8.00949 14.7394 5.28999 9.33969 13.0017 numMergedOcc 0
61 mol 232 unq 2 iso 1 dist 9.16638 9.33969 5.28999 14.7394 8.00949 13.0017 numMergedOcc 0
62 mol 232 unq 3 iso 0 dist 9.16638 8.00949 14.7394 10.1458 7.64079 14.3275 numMergedOcc 0
63 mol 232 unq 3 iso 1 dist 9.16638 7.64079 10.1458 14.7394 8.00949 14.3275 numMergedOcc 0
64 mol 232 unq 4 iso 0 dist 9.16638 8.19257 5.97529 5.28999 9.33969 10.1706 numMergedOcc 0
65 mol 232 unq 4 iso 1 dist 9.16638 9.33969 5.28999 5.97529 8.19257 10.1706 numMergedOcc 0
66 mol 232 unq 5 iso 0 dist 9.16638 8.19257 5.97529 10.1458 7.64079 12.5054 numMergedOcc 0
67 mol 232 unq 5 iso 1 dist 9.16638 7.64079 10.1458 5.97529 8.19257 12.5054 numMergedOcc 0
68 mol 285 unq 0 iso 0 dist 8.12306 5.28731 10.1123 5.00843 6.73396 8.80238 numMergedOcc 0
69 mol 285 unq 0 iso 1 dist 8.12306 6.73396 5.00843 10.1123 5.28731 8.80238 numMergedOcc 0
70 mol 287 unq 0 iso 0 dist 9.39409 6.16127 11.7613 13.6065 9.40443 17.9398 numMergedOcc 0
71 mol 287 unq 0 iso 1 dist 9.39409 9.40443 13.6065 11.7613 6.16127 17.9398 numMergedOcc 0
72 mol 288 unq 0 iso 0 dist 9.39409 6.16127 11.7613 13.6065 9.40443 17.9398 numMergedOcc 0
73 mol 288 unq 0 iso 1 dist 9.39409 9.40443 13.6065 11.7613 6.16127 17.9398 numMergedOcc 0
74 mol 289 unq 0 iso 0 dist 9.39409 6.16127 11.7613 13.6065 9.40443 17.9398 numMergedOcc 0
75 mol 289 unq 0 iso 1 dist 9.39409 9.40443 13.6065 11.7613 6.16127 17.9398 numMergedOcc 0
