0 mol 30 unq 0 iso 0 dist 5.16345 8.21595 5.59189 9.60744 7.78507 5.26258 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 5.16345 9.60744 7.78507 8.21595 5.59189 5.26258 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 9.72314 9.28932 10.6695 6.83481 6.40527 5.34368 numMergedOcc 0
3 mol 30 unq 1 iso 1 dist 9.72314 6.83481 6.40527 9.28932 10.6695 5.34368 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 9.08821 5.58151 5.82403 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 8.71615 9.08821 5.58151 6.7212 5.46166 5.82403 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 8.124 5.2774 5.7113 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 7.84699 8.124 5.2774 6.10011 8.04817 5.7113 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.40844 6.10011 9.76331 8.124 5.44275 5.7113 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 8.40844 8.124 5.44275 6.10011 9.76331 5.7113 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.99156 6.10011 10.4402 8.124 8.0624 5.7113 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 6.99156 8.124 8.0624 6.10011 10.4402 5.7113 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.68277 8.53393 9.74045 5.57265 10.1493 6.39947 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 9.68277 5.57265 10.1493 8.53393 9.74045 6.39947 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.87856 5.85841 6.83826 7.00285 9.94628 10.6225 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 8.87856 7.00285 9.94628 5.85841 6.83826 10.6225 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 6.2491 5.85841 9.30656 7.00285 5.39087 10.6225 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 6.2491 7.00285 5.39087 5.85841 9.30656 10.6225 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 3.59451 6.78839 9.30656 8.02354 5.39087 10.6225 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 3.59451 8.02354 5.39087 6.78839 9.30656 10.6225 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 8.26758 6.26542 10.844 7.02765 14.1618 5.66653 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 8.26758 7.02765 14.1618 6.26542 10.844 5.66653 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 9.74209 7.83582 12.1389 9.89896 12.4171 13.6872 numMergedOcc 0
23 mol 140 unq 0 iso 1 dist 9.74209 9.89896 12.4171 7.83582 12.1389 13.6872 numMergedOcc 0
24 mol 140 unq 1 iso 0 dist 9.74209 7.83582 12.1389 9.68229 16.7631 9.35646 numMergedOcc 0
25 mol 140 unq 1 iso 1 dist 9.74209 9.68229 16.7631 7.83582 12.1389 9.35646 numMergedOcc 0
26 mol 140 unq 1 iso 0 dist 9.74209 9.89896 12.4171 9.68229 16.7631 9.66601 numMergedOcc 0
27 mol 140 unq 1 iso 1 dist 9.74209 9.68229 16.7631 9.89896 12.4171 9.66601 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 8.51265 7.34465 13.1327 9.47675 10.4653 6.21253 numMergedOcc 0
29 mol 141 unq 0 iso 1 dist 8.51265 9.47675 10.4653 7.34465 13.1327 6.21253 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 7.11647 5.75141 5.56175 numMergedOcc 0
31 mol 156 unq 0 iso 1 dist 6.67598 7.11647 5.75141 9.19499 5.0966 5.56175 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 8.98636 9.19499 8.58765 7.11647 5.6208 5.56175 numMergedOcc 0
33 mol 156 unq 1 iso 1 dist 8.98636 7.11647 5.6208 9.19499 8.58765 5.56175 numMergedOcc 0
34 mol 156 unq 2 iso 0 dist 8.79185 9.19499 9.07974 7.11647 5.70205 5.56175 numMergedOcc 0
35 mol 156 unq 2 iso 1 dist 8.79185 7.11647 5.70205 9.19499 9.07974 5.56175 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 6.58792 5.07895 6.01247 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 8.03259 6.58792 5.07895 8.90247 6.94401 6.01247 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 8.5834 4.28891 6.8425 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 7.10689 8.5834 4.28891 8.7419 8.81265 6.8425 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 7.75485 9.74911 5.60236 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 8.68767 7.75485 9.74911 9.73411 14.3302 5.60236 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 7.7163 7.07564 5.63485 9.11052 10.3532 5.60236 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 7.7163 9.11052 10.3532 7.07564 5.63485 5.60236 numMergedOcc 0
44 mol 224 unq 2 iso 0 dist 9.2 7.07564 4.8786 9.11052 6.38066 5.60236 numMergedOcc 0
45 mol 224 unq 2 iso 1 dist 9.2 9.11052 6.38066 7.07564 4.8786 5.60236 numMergedOcc 0
46 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 9.3619 11.491 5.46301 numMergedOcc 0
47 mol 230 unq 0 iso 1 dist 5.00735 9.3619 11.491 5.62804 7.07028 5.46301 numMergedOcc 0
48 mol 230 unq 1 iso 0 dist 6.73755 5.62804 5.26217 9.3619 7.46522 5.46301 numMergedOcc 0
49 mol 230 unq 1 iso 1 dist 6.73755 9.3619 7.46522 5.62804 5.26217 5.46301 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 9.56414 9.95681 4.50761 9.05762 8.80293 5.51688 numMergedOcc 0
51 mol 261 unq 0 iso 1 dist 9.56414 9.05762 8.80293 9.95681 4.50761 5.51688 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 8.26695 5.82876 12.0757 8.71129 16.0765 6.15918 numMergedOcc 0
53 mol 274 unq 0 iso 1 dist 8.26695 8.71129 16.0765 5.82876 12.0757 6.15918 numMergedOcc 0
54 mol 274 unq 1 iso 0 dist 5.59151 5.82876 7.96313 8.71129 13.1879 6.15918 numMergedOcc 0
55 mol 274 unq 1 iso 1 dist 5.59151 8.71129 13.1879 5.82876 7.96313 6.15918 numMergedOcc 0
56 mol 274 unq 2 iso 0 dist 8.17922 5.82876 7.97998 8.71129 5.7745 6.15918 numMergedOcc 0
57 mol 274 unq 2 iso 1 dist 8.17922 8.71129 5.7745 5.82876 7.97998 6.15918 numMergedOcc 0
