0 mol 0 unq 0 iso 0 dist 6.80636 9.15248 8.31596 13.3498 8.8123 6.3267 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 10.3034 6.3267 15.944 8.8123 8.31596 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.47421 11.4878 7.2199 12.6047 6.27573 6.9513 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 14.9473 11.1737 9.16116 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.47421 11.4878 7.2199 16.8226 10.9842 8.47109 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 6.85412 5.60154 9.29529 6.33889 5.80437 7.2199 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 6.33889 5.60154 7.2199 6.85412 5.80437 9.29529 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 14.3965 14.5783 8.13782 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 14.4997 14.5783 8.13782 numMergedOcc 0
9 mol 45 unq 2 iso 0 dist 9.43442 5.54436 8.59109 11.2545 14.5783 8.13782 numMergedOcc 0
10 mol 45 unq 3 iso 0 dist 6.99408 7.39653 8.13782 15.6951 14.5783 8.59109 numMergedOcc 0
11 mol 45 unq 4 iso 0 dist 9.3403 10.6095 8.13782 19.075 14.5783 8.59109 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 10.8928 7.57085 6.50297 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 8.26899 6.75888 8.80108 11.3177 7.57085 6.50297 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.40841 5.64209 6.50297 10.9482 6.44201 6.96494 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 9.58673 6.47744 7.01363 12.4575 6.49184 6.96494 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 8.63333 10.6476 6.96494 14.2147 6.44201 6.50297 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 8.89374 12.7331 6.96494 14.3086 6.44201 6.50297 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 6.46761 8.74789 6.96494 7.58407 6.44201 6.50297 numMergedOcc 0
19 mol 58 unq 7 iso 0 dist 7.58407 8.74789 6.50297 6.46761 6.44201 6.96494 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 9.73139 7.02095 6.96494 6.31428 6.44201 6.50297 numMergedOcc 0
21 mol 58 unq 9 iso 0 dist 6.31428 7.02095 6.50297 9.73139 6.44201 6.96494 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 8.624 6.00418 9.19459 10.0983 4.64409 8.59747 numMergedOcc 0
23 mol 72 unq 1 iso 0 dist 6.77912 9.0131 9.19459 10.4676 4.64409 8.59747 numMergedOcc 0
24 mol 88 unq 0 iso 0 dist 8.66514 5.90098 7.71582 9.25235 4.61166 6.65776 numMergedOcc 0
25 mol 88 unq 1 iso 0 dist 9.25235 5.90098 6.65776 8.66514 4.61166 7.71582 numMergedOcc 0
26 mol 94 unq 0 iso 0 dist 8.3586 10.0455 7.38914 12.6451 5.31202 7.0529 numMergedOcc 0
27 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 17.4431 12.0339 9.49413 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 7.64585 10.7942 6.40036 12.0409 9.37623 7.99631 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 6.93652 7.57216 6.2135 15.487 10.8776 8.55681 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 9.54444 6.96143 6.2135 15.384 10.8776 8.55681 numMergedOcc 0
31 mol 155 unq 0 iso 0 dist 9.17284 6.3845 6.51096 13.2459 6.0706 8.73171 numMergedOcc 0
32 mol 155 unq 1 iso 0 dist 9.87281 5.48883 6.51096 8.27111 6.0706 8.73171 numMergedOcc 0
33 mol 155 unq 2 iso 0 dist 8.87452 5.77564 6.51096 7.68368 6.0706 8.73171 numMergedOcc 0
34 mol 155 unq 3 iso 0 dist 8.27111 5.48883 8.73171 9.87281 6.0706 6.51096 numMergedOcc 0
35 mol 155 unq 4 iso 0 dist 7.68368 5.77564 8.73171 8.87452 6.0706 6.51096 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.94688 8.25067 8.20656 6.71012 5.3528 9.40622 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 6.71012 8.25067 9.40622 6.94688 5.3528 8.20656 numMergedOcc 0
38 mol 213 unq 0 iso 0 dist 8.45368 11.1059 8.74171 14.1277 7.39803 6.85195 numMergedOcc 0
39 mol 213 unq 1 iso 0 dist 9.59129 12.2579 8.74171 12.5357 7.39803 6.85195 numMergedOcc 0
40 mol 213 unq 2 iso 0 dist 6.68292 4.93472 6.85195 4.26212 4.8814 6.17451 numMergedOcc 0
41 mol 213 unq 3 iso 0 dist 4.26212 4.93472 6.17451 6.68292 4.8814 6.85195 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 8.53199 7.47048 6.75035 10.9531 8.16398 8.57853 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 7.06793 7.98696 8.89778 6.67585 6.88258 9.47554 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 6.67585 7.98696 9.47554 7.06793 6.88258 8.89778 numMergedOcc 0
45 mol 224 unq 2 iso 0 dist 6.65984 7.12232 9.47554 10.0414 6.88258 8.89778 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 17.6316 14.0478 7.51827 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 9.62609 8.8709 6.152 6.95902 8.55671 7.95168 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 8.17891 13.3557 7.95168 13.4493 8.55671 6.152 numMergedOcc 0
49 mol 227 unq 2 iso 0 dist 6.95902 8.8709 7.95168 9.62609 8.55671 6.152 numMergedOcc 0
50 mol 228 unq 0 iso 0 dist 9.42615 4.81881 7.46689 8.06181 8.57673 8.37287 numMergedOcc 0
51 mol 228 unq 1 iso 0 dist 8.06181 4.81881 8.37287 9.42615 8.57673 7.46689 numMergedOcc 0
52 mol 228 unq 2 iso 0 dist 8.38048 6.5952 8.37287 12.7909 8.57673 7.46689 numMergedOcc 0
53 mol 228 unq 3 iso 0 dist 7.65132 11.1604 8.37287 14.9859 8.57673 7.46689 numMergedOcc 0
54 mol 228 unq 4 iso 0 dist 8.53764 10.1917 8.37287 13.6165 8.57673 7.46689 numMergedOcc 0
55 mol 228 unq 5 iso 0 dist 7.77367 4.75417 8.07174 9.06121 8.22089 7.09766 numMergedOcc 0
56 mol 228 unq 6 iso 0 dist 9.06121 4.75417 7.09766 7.77367 8.22089 8.07174 numMergedOcc 0
57 mol 228 unq 7 iso 0 dist 8.20909 6.53802 8.07174 12.4332 8.22089 7.09766 numMergedOcc 0
58 mol 228 unq 8 iso 0 dist 7.94506 11.0908 8.07174 14.7666 8.22089 7.09766 numMergedOcc 0
59 mol 228 unq 9 iso 0 dist 8.15494 10.0837 8.07174 13.3068 8.22089 7.09766 numMergedOcc 0
60 mol 234 unq 0 iso 0 dist 9.5707 12.1076 9.6101 10.475 9.35875 5.32183 numMergedOcc 0
61 mol 234 unq 1 iso 0 dist 6.16063 5.9221 8.49841 11.4691 10.9755 9.6101 numMergedOcc 0
62 mol 234 unq 2 iso 0 dist 9.39181 6.29366 5.32183 11.8897 9.35875 9.6101 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 8.96531 4.65297 6.65088 10.0552 5.44694 6.5772 numMergedOcc 0
64 mol 238 unq 1 iso 0 dist 8.96531 4.65297 6.65088 10.3942 10.6286 8.70193 numMergedOcc 0
65 mol 238 unq 2 iso 0 dist 8.96531 4.65297 6.65088 10.0962 10.1756 6.17025 numMergedOcc 0
66 mol 238 unq 3 iso 0 dist 8.96531 4.65297 6.65088 10.5309 13.0634 9.0378 numMergedOcc 0
67 mol 238 unq 4 iso 0 dist 7.02475 8.82861 6.65088 7.67322 5.44694 6.5772 numMergedOcc 0
68 mol 238 unq 5 iso 0 dist 7.02475 8.82861 6.65088 13.5581 10.6286 8.70193 numMergedOcc 0
69 mol 238 unq 6 iso 0 dist 7.02475 8.82861 6.65088 7.19008 10.1756 6.17025 numMergedOcc 0
70 mol 238 unq 7 iso 0 dist 7.02475 8.82861 6.65088 11.3465 13.0634 9.0378 numMergedOcc 0
71 mol 238 unq 8 iso 0 dist 7.67322 8.82861 6.5772 7.02475 5.44694 6.65088 numMergedOcc 0
72 mol 238 unq 9 iso 0 dist 7.67322 8.82861 6.5772 13.5581 6.32518 8.70193 numMergedOcc 0
73 mol 238 unq 10 iso 0 dist 7.67322 8.82861 6.5772 7.19008 9.50847 6.17025 numMergedOcc 0
74 mol 238 unq 11 iso 0 dist 7.67322 8.82861 6.5772 11.3465 14.4744 9.0378 numMergedOcc 0
75 mol 238 unq 12 iso 0 dist 9.90142 15.7973 8.70193 19.9032 10.6286 6.65088 numMergedOcc 0
76 mol 238 unq 13 iso 0 dist 9.90142 15.7973 8.70193 15.1933 6.32518 6.5772 numMergedOcc 0
77 mol 238 unq 14 iso 0 dist 9.90142 15.7973 8.70193 17.4175 12.6266 6.17025 numMergedOcc 0
78 mol 238 unq 15 iso 0 dist 9.90142 15.7973 8.70193 21.9435 17.3008 9.0378 numMergedOcc 0
79 mol 238 unq 16 iso 0 dist 5.9216 10.438 8.70193 14.942 10.6286 6.65088 numMergedOcc 0
80 mol 238 unq 17 iso 0 dist 5.9216 10.438 8.70193 10.7532 6.32518 6.5772 numMergedOcc 0
81 mol 238 unq 18 iso 0 dist 5.9216 10.438 8.70193 12.746 12.6266 6.17025 numMergedOcc 0
82 mol 238 unq 19 iso 0 dist 5.9216 10.438 8.70193 17.0637 17.3008 9.0378 numMergedOcc 0
83 mol 238 unq 20 iso 0 dist 7.49471 12.1252 6.17025 12.1784 10.1756 6.65088 numMergedOcc 0
84 mol 238 unq 21 iso 0 dist 7.49471 12.1252 6.17025 12.1937 9.50847 6.5772 numMergedOcc 0
85 mol 238 unq 22 iso 0 dist 7.49471 12.1252 6.17025 17.2889 12.6266 8.70193 numMergedOcc 0
86 mol 238 unq 23 iso 0 dist 7.49471 12.1252 6.17025 10.9946 6.34909 9.0378 numMergedOcc 0
87 mol 238 unq 24 iso 0 dist 7.19008 8.82861 6.17025 7.02475 10.1756 6.65088 numMergedOcc 0
88 mol 238 unq 25 iso 0 dist 7.19008 8.82861 6.17025 7.67322 9.50847 6.5772 numMergedOcc 0
89 mol 238 unq 26 iso 0 dist 7.19008 8.82861 6.17025 13.5581 12.6266 8.70193 numMergedOcc 0
90 mol 238 unq 27 iso 0 dist 7.19008 8.82861 6.17025 11.3465 6.34909 9.0378 numMergedOcc 0
91 mol 250 unq 0 iso 0 dist 8.80086 11.0402 7.88284 11.0437 6.59053 5.94383 numMergedOcc 0
92 mol 250 unq 1 iso 0 dist 8.80086 7.26274 9.88279 11.0437 6.59053 8.16469 numMergedOcc 0
93 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 12.8426 6.73396 6.79822 numMergedOcc 0
94 mol 270 unq 1 iso 0 dist 8.25349 10.4895 8.39167 12.8426 6.73396 9.17227 numMergedOcc 0
