0 mol 9 unq 0 iso 0 dist 9.99657 6.53202 8.48677 14.634 8.59513 13.4295 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.99657 6.53202 8.48677 12.8646 6.59312 13.4414 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.78754 5.71129 6.35398 9.26728 9.81983 10.7048 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 2.97898 5.27979 7.15034 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 6.09663 6.41008 4.59417 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 6.94677 8.42799 9.25641 3.60431 9.83914 9.57611 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.2746 4.47138 7.56205 15.8916 8.21895 14.3608 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 8.2746 10.9596 4.74544 15.8916 8.21895 5.9487 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 5.51406 10.2967 9.30539 8.88997 9.97813 4.73184 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.7913 4.73713 5.9465 14.5986 6.89071 12.2908 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.7913 4.36394 6.97962 14.5986 6.89071 13.6054 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 7.7913 14.0487 9.95342 14.5986 6.89071 11.2746 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 5.37302 14.0364 9.66219 3.77247 5.35711 13.0914 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 5.37302 14.0364 9.66219 7.1034 6.23759 15.3211 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 9.66068 16.3524 8.8822 3.74516 7.40338 15.3211 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 8.03783 16.3524 9.66219 7.4003 5.35711 13.0914 numMergedOcc 0
16 mol 113 unq 4 iso 0 dist 8.03783 16.3524 9.66219 3.74516 6.23759 15.3211 numMergedOcc 0
17 mol 113 unq 5 iso 0 dist 8.47541 12.1308 9.66219 7.80142 5.35711 13.0914 numMergedOcc 0
18 mol 113 unq 6 iso 0 dist 8.47541 12.1308 9.66219 9.72813 6.23759 15.3211 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 5.43728 8.13139 5.62052 11.2315 8.72359 3.78012 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 5.43728 8.13139 5.62052 3.47015 7.02963 10.9403 numMergedOcc 0
21 mol 135 unq 2 iso 0 dist 5.43728 5.88534 7.85645 11.2315 8.72359 9.62654 numMergedOcc 0
22 mol 135 unq 3 iso 0 dist 5.43728 5.88534 7.85645 3.47015 7.02963 8.06169 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.78469 6.4437 9.87644 10.5537 9.62774 6.80544 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 8.01453 5.91683 9.87644 5.51254 9.62774 6.80544 numMergedOcc 0
25 mol 146 unq 0 iso 0 dist 7.13378 8.76758 8.84535 4.74818 5.95148 10.4935 numMergedOcc 0
26 mol 146 unq 1 iso 0 dist 7.13378 6.347 8.82188 4.74818 5.95148 4.19745 numMergedOcc 0
27 mol 148 unq 0 iso 0 dist 9.80819 9.27313 6.22055 13.1327 5.75959 4.73245 numMergedOcc 0
28 mol 148 unq 1 iso 0 dist 9.80819 12.8573 8.18085 13.1327 5.75959 5.38701 numMergedOcc 0
29 mol 150 unq 0 iso 0 dist 9.81665 9.25213 6.14675 13.0356 5.4798 4.73768 numMergedOcc 0
30 mol 150 unq 1 iso 0 dist 9.81665 12.8265 7.94889 13.0356 5.4798 5.46333 numMergedOcc 0
31 mol 150 unq 2 iso 0 dist 9.33412 6.48118 9.24244 3.56564 6.32391 4.73768 numMergedOcc 0
32 mol 168 unq 0 iso 0 dist 8.90876 12.1014 7.44629 7.13766 6.12453 12.7437 numMergedOcc 0
33 mol 168 unq 1 iso 0 dist 8.90876 12.1014 7.44629 7.29489 9.87447 14.4866 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 3.55808 9.20617 11.618 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 5.97968 9.09989 8.90963 6.33098 9.20617 11.618 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 8.50382 12.4243 8.90963 12.4553 9.20617 11.618 numMergedOcc 0
37 mol 181 unq 3 iso 0 dist 8.63119 4.98009 8.90963 8.9845 9.20617 11.618 numMergedOcc 0
38 mol 184 unq 0 iso 0 dist 8.95598 4.41193 6.42735 9.10254 7.02762 5.03539 numMergedOcc 0
39 mol 188 unq 0 iso 0 dist 9.37017 4.04545 8.10214 11.2153 8.4784 8.02684 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 5.86419 4.78067 4.8668 3.83801 7.75318 7.35363 numMergedOcc 0
41 mol 205 unq 1 iso 0 dist 7.23557 4.2475 4.8668 9.4797 7.75318 7.35363 numMergedOcc 0
42 mol 205 unq 2 iso 0 dist 8.86587 6.8901 4.8668 13.314 7.75318 7.35363 numMergedOcc 0
43 mol 237 unq 0 iso 0 dist 8.42502 10.0582 9.20822 3.78608 8.95332 7.00249 numMergedOcc 0
44 mol 244 unq 0 iso 0 dist 8.08939 11.6777 5.50492 15.1141 9.30179 8.49798 numMergedOcc 0
45 mol 244 unq 1 iso 0 dist 8.08939 11.6777 5.50492 3.62882 6.10489 9.54706 numMergedOcc 0
46 mol 244 unq 2 iso 0 dist 8.08939 11.6777 5.50492 7.8506 4.4204 4.06591 numMergedOcc 0
47 mol 244 unq 3 iso 0 dist 7.33574 7.45211 5.50492 12.1511 9.30179 8.49798 numMergedOcc 0
48 mol 244 unq 4 iso 0 dist 7.33574 7.45211 5.50492 5.2503 6.10489 9.54706 numMergedOcc 0
49 mol 244 unq 5 iso 0 dist 7.33574 7.45211 5.50492 3.66626 4.4204 4.06591 numMergedOcc 0
50 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 14.8497 8.76518 10.3504 numMergedOcc 0
51 mol 249 unq 1 iso 0 dist 6.58109 9.9973 7.25858 14.8497 8.76518 10.9925 numMergedOcc 0
52 mol 258 unq 0 iso 0 dist 8.63176 8.27707 9.63959 10.3385 9.36974 4.83605 numMergedOcc 0
53 mol 258 unq 1 iso 0 dist 8.63176 13.5559 9.96262 10.3385 9.36974 8.21389 numMergedOcc 0
54 mol 258 unq 2 iso 0 dist 8.63176 6.48867 7.21311 10.3385 9.36974 11.9728 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 10.2963 9.81919 9.32873 numMergedOcc 0
56 mol 273 unq 1 iso 0 dist 6.38341 9.40198 9.18157 10.2963 9.81919 5.04315 numMergedOcc 0
57 mol 287 unq 0 iso 0 dist 8.42076 8.60619 6.89451 9.03098 7.99204 4.21609 numMergedOcc 0
58 mol 287 unq 1 iso 0 dist 7.76945 5.25853 8.91712 9.51119 9.25759 13.2948 numMergedOcc 0
59 mol 287 unq 2 iso 0 dist 7.76945 7.19628 9.65934 9.51119 9.25759 3.65199 numMergedOcc 0
60 mol 288 unq 0 iso 0 dist 8.42076 8.60619 6.89451 9.03098 7.99204 4.21609 numMergedOcc 0
61 mol 288 unq 1 iso 0 dist 7.76945 5.25853 8.91712 9.51119 9.25759 13.2948 numMergedOcc 0
62 mol 288 unq 2 iso 0 dist 7.76945 7.19628 9.65934 9.51119 9.25759 3.65199 numMergedOcc 0
63 mol 289 unq 0 iso 0 dist 8.42076 8.60619 6.89451 9.03098 7.99204 4.21609 numMergedOcc 0
64 mol 289 unq 1 iso 0 dist 7.76945 5.25853 8.91712 9.51119 9.25759 13.2948 numMergedOcc 0
65 mol 289 unq 2 iso 0 dist 7.76945 7.19628 9.65934 9.51119 9.25759 3.65199 numMergedOcc 0
66 mol 292 unq 0 iso 0 dist 6.60049 6.94727 9.88863 3.80161 9.373 9.81399 numMergedOcc 0
