0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 4.2139 6.31718 10.8455 13.862 5.32694 5.46498 10.9143 19.1237 10.4155 8.71745 16.4009 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.76968 12.1754 7.63133 4.2139 6.31718 10.8455 19.1237 10.4155 8.71745 16.4009 13.862 5.32694 5.46498 10.9143 5.74188 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 13.3732 5.06502 5.73819 10.5523 12.9363 6.45462 8.93915 14.7803 5.89973 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 12.9363 6.45462 8.93915 14.7803 13.3732 5.06502 5.73819 10.5523 5.89973 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 5.29688 6.85766 10.0246 19.1673 12.5396 8.84665 17.79 14.3301 8.19458 8.25513 14.0127 6.40295 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 6.65344 13.1729 7.71095 5.29688 6.85766 10.0246 14.3301 8.19458 8.25513 14.0127 19.1673 12.5396 8.84665 17.79 6.40295 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 10.7244 5.42586 7.47541 11.3023 11.7434 10.1164 5.73196 15.309 6.87425 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 11.7434 10.1164 5.73196 15.309 10.7244 5.42586 7.47541 11.3023 6.87425 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 10.7244 5.42586 7.47541 7.97049 11.7434 10.1164 5.73196 11.2656 6.87425 numMergedOcc 0
9 mol 85 unq 1 iso 1 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 11.7434 10.1164 5.73196 11.2656 10.7244 5.42586 7.47541 7.97049 6.87425 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.5791 16.6055 9.03572 16.9836 13.9545 13.8105 8.83255 16.9811 6.59319 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 13.9545 13.8105 8.83255 16.9811 12.5791 16.6055 9.03572 16.9836 6.59319 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 14.1021 11.5723 7.30858 13.8473 12.6493 8.02349 5.83991 9.33865 10.8507 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 12.6493 8.02349 5.83991 9.33865 14.1021 11.5723 7.30858 13.8473 10.8507 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 17.0624 11.5723 7.30858 13.8473 13.7044 8.02349 5.83991 9.33865 10.8507 numMergedOcc 0
15 mol 115 unq 1 iso 1 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 13.7044 8.02349 5.83991 9.33865 17.0624 11.5723 7.30858 13.8473 10.8507 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.3894 13.0836 9.52634 4.84607 6.5107 9.56949 10.2159 6.69554 9.91388 9.66421 14.8299 7.6656 7.24514 12.0352 6.761 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 9.3894 13.0836 9.52634 4.84607 6.5107 9.56949 14.8299 7.6656 7.24514 12.0352 10.2159 6.69554 9.91388 9.66421 6.761 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 15.5083 11.965 6.29155 13.268 11.5178 7.79672 6.80239 12.6651 7.81217 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 11.5178 7.79672 6.80239 12.6651 15.5083 11.965 6.29155 13.268 7.81217 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 9.60411 5.49782 6.37586 9.71307 14.0674 8.80819 6.49416 12.5075 5.00817 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 14.0674 8.80819 6.49416 12.5075 9.60411 5.49782 6.37586 9.71307 5.00817 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 9.92932 5.49782 8.94367 9.86662 14.0674 5.00817 6.49416 12.5075 8.80819 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 14.0674 5.00817 6.49416 12.5075 9.92932 5.49782 8.94367 9.86662 8.80819 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 12.1043 5.49782 6.37586 9.71307 16.0579 8.80819 6.49416 12.5075 5.00817 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 16.0579 8.80819 6.49416 12.5075 12.1043 5.49782 6.37586 9.71307 5.00817 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 13.1529 5.42328 5.87555 10.399 12.6103 6.4896 8.67331 14.1618 5.54906 numMergedOcc 0
27 mol 152 unq 0 iso 1 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 12.6103 6.4896 8.67331 14.1618 13.1529 5.42328 5.87555 10.399 5.54906 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 13.1529 5.42328 5.87555 8.87437 12.6103 6.4896 8.67331 8.05741 5.54906 numMergedOcc 0
29 mol 152 unq 1 iso 1 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 12.6103 6.4896 8.67331 8.05741 13.1529 5.42328 5.87555 8.87437 5.54906 numMergedOcc 0
30 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 10.4039 8.56324 10.6875 13.1529 5.42328 8.87437 10.399 12.6103 6.4896 8.05741 14.1618 5.54906 numMergedOcc 0
31 mol 152 unq 2 iso 1 dist 8.07256 8.36099 7.16148 10.4039 8.56324 10.6875 12.6103 6.4896 8.05741 14.1618 13.1529 5.42328 8.87437 10.399 5.54906 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 8.07256 8.36099 7.16148 11.1874 6.70283 5.49936 13.1529 5.42328 8.87437 5.87555 12.6103 6.4896 8.05741 8.67331 5.54906 numMergedOcc 0
33 mol 152 unq 3 iso 1 dist 8.07256 8.36099 7.16148 11.1874 6.70283 5.49936 12.6103 6.4896 8.05741 8.67331 13.1529 5.42328 8.87437 5.87555 5.54906 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 8.46129 5.0744 9.16166 9.99123 9.2053 5.60236 5.81334 14.0676 6.91102 numMergedOcc 0
35 mol 224 unq 0 iso 1 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 9.2053 5.60236 5.81334 14.0676 8.46129 5.0744 9.16166 9.99123 6.91102 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 8.46129 5.0744 9.16166 6.60589 9.2053 5.60236 5.81334 10.5128 6.91102 numMergedOcc 0
37 mol 224 unq 1 iso 1 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 9.2053 5.60236 5.81334 10.5128 8.46129 5.0744 9.16166 6.60589 6.91102 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 8.39002 5.0744 5.78342 10.103 9.2053 6.91102 5.81334 10.9745 5.60236 numMergedOcc 0
39 mol 224 unq 2 iso 1 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 9.2053 6.91102 5.81334 10.9745 8.39002 5.0744 5.78342 10.103 5.60236 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 8.39002 5.0744 5.78342 6.57273 9.2053 6.91102 5.81334 10.5128 5.60236 numMergedOcc 0
41 mol 224 unq 3 iso 1 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 9.2053 6.91102 5.81334 10.5128 8.39002 5.0744 5.78342 6.57273 5.60236 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.3361 5.79505 8.03456 9.81562 14.0991 11.3368 9.99038 6.27581 9.90963 numMergedOcc 0
43 mol 236 unq 0 iso 1 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 14.0991 11.3368 9.99038 6.27581 11.3361 5.79505 8.03456 9.81562 9.90963 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.3361 5.79505 8.03456 9.81562 11.8422 11.8739 9.78037 13.499 6.96005 numMergedOcc 0
45 mol 236 unq 1 iso 1 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.8422 11.8739 9.78037 13.499 11.3361 5.79505 8.03456 9.81562 6.96005 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.3361 5.79505 8.03456 9.81562 9.05929 14.7998 8.35971 11.2141 14.2337 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 9.05929 14.7998 8.35971 11.2141 11.3361 5.79505 8.03456 9.81562 14.2337 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 14.0991 11.3368 9.99038 6.27581 11.8422 11.8739 9.78037 13.499 11.1557 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.8422 11.8739 9.78037 13.499 14.0991 11.3368 9.99038 6.27581 11.1557 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 14.0991 11.3368 9.99038 6.27581 9.05929 14.7998 8.35971 11.2141 10.7497 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 9.05929 14.7998 8.35971 11.2141 14.0991 11.3368 9.99038 6.27581 10.7497 numMergedOcc 0
52 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.8422 11.8739 9.78037 13.499 9.05929 14.7998 8.35971 11.2141 12.0369 numMergedOcc 0
53 mol 236 unq 2 iso 1 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 9.05929 14.7998 8.35971 11.2141 11.8422 11.8739 9.78037 13.499 12.0369 numMergedOcc 0
54 mol 236 unq 3 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 11.3361 5.79505 9.81562 8.03456 14.0991 11.3368 6.27581 9.99038 9.90963 numMergedOcc 0
55 mol 236 unq 3 iso 1 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 14.0991 11.3368 6.27581 9.99038 11.3361 5.79505 9.81562 8.03456 9.90963 numMergedOcc 0
56 mol 236 unq 4 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.3361 14.2337 8.03456 15.1853 9.89665 14.7998 6.84306 13.5269 5.79505 numMergedOcc 0
57 mol 236 unq 4 iso 1 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 9.89665 14.7998 6.84306 13.5269 11.3361 14.2337 8.03456 15.1853 5.79505 numMergedOcc 0
58 mol 236 unq 5 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.3361 14.2337 8.03456 15.1853 14.0991 10.7497 9.99038 15.7308 9.90963 numMergedOcc 0
59 mol 236 unq 5 iso 1 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 14.0991 10.7497 9.99038 15.7308 11.3361 14.2337 8.03456 15.1853 9.90963 numMergedOcc 0
60 mol 236 unq 6 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.3361 14.2337 8.03456 15.1853 11.8422 12.0369 9.78037 14.9122 6.96005 numMergedOcc 0
61 mol 236 unq 6 iso 1 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.8422 12.0369 9.78037 14.9122 11.3361 14.2337 8.03456 15.1853 6.96005 numMergedOcc 0
62 mol 236 unq 5 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 9.89665 14.7998 6.84306 13.5269 14.0991 10.7497 9.99038 15.7308 11.3368 numMergedOcc 0
63 mol 236 unq 5 iso 1 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 14.0991 10.7497 9.99038 15.7308 9.89665 14.7998 6.84306 13.5269 11.3368 numMergedOcc 0
64 mol 236 unq 6 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 9.89665 14.7998 6.84306 13.5269 11.8422 12.0369 9.78037 14.9122 11.8739 numMergedOcc 0
65 mol 236 unq 6 iso 1 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.8422 12.0369 9.78037 14.9122 9.89665 14.7998 6.84306 13.5269 11.8739 numMergedOcc 0
66 mol 236 unq 6 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 14.0991 10.7497 9.99038 15.7308 11.8422 12.0369 9.78037 14.9122 11.1557 numMergedOcc 0
67 mol 236 unq 6 iso 1 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.8422 12.0369 9.78037 14.9122 14.0991 10.7497 9.99038 15.7308 11.1557 numMergedOcc 0
68 mol 236 unq 7 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 12.3675 9.90963 8.03456 9.81562 11.0771 11.3368 6.84306 7.68742 5.79505 numMergedOcc 0
69 mol 236 unq 7 iso 1 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 11.0771 11.3368 6.84306 7.68742 12.3675 9.90963 8.03456 9.81562 5.79505 numMergedOcc 0
70 mol 236 unq 8 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 12.3675 9.90963 8.03456 9.81562 15.7385 11.1557 9.78037 13.499 6.96005 numMergedOcc 0
71 mol 236 unq 8 iso 1 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 15.7385 11.1557 9.78037 13.499 12.3675 9.90963 8.03456 9.81562 6.96005 numMergedOcc 0
72 mol 236 unq 9 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 12.3675 9.90963 8.03456 9.81562 13.3367 10.7497 8.35971 11.2141 14.2337 numMergedOcc 0
73 mol 236 unq 9 iso 1 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 13.3367 10.7497 8.35971 11.2141 12.3675 9.90963 8.03456 9.81562 14.2337 numMergedOcc 0
74 mol 236 unq 8 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 11.0771 11.3368 6.84306 7.68742 15.7385 11.1557 9.78037 13.499 11.8739 numMergedOcc 0
75 mol 236 unq 8 iso 1 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 15.7385 11.1557 9.78037 13.499 11.0771 11.3368 6.84306 7.68742 11.8739 numMergedOcc 0
76 mol 236 unq 9 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 11.0771 11.3368 6.84306 7.68742 13.3367 10.7497 8.35971 11.2141 14.7998 numMergedOcc 0
77 mol 236 unq 9 iso 1 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 13.3367 10.7497 8.35971 11.2141 11.0771 11.3368 6.84306 7.68742 14.7998 numMergedOcc 0
78 mol 236 unq 9 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 15.7385 11.1557 9.78037 13.499 13.3367 10.7497 8.35971 11.2141 12.0369 numMergedOcc 0
79 mol 236 unq 9 iso 1 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 13.3367 10.7497 8.35971 11.2141 15.7385 11.1557 9.78037 13.499 12.0369 numMergedOcc 0
80 mol 236 unq 10 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 12.3675 9.90963 9.81562 8.03456 11.0771 11.3368 7.68742 6.84306 5.79505 numMergedOcc 0
81 mol 236 unq 10 iso 1 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 11.0771 11.3368 7.68742 6.84306 12.3675 9.90963 9.81562 8.03456 5.79505 numMergedOcc 0
82 mol 236 unq 11 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 14.8917 9.90963 8.03456 9.81562 15.2525 11.3368 6.84306 7.68742 5.79505 numMergedOcc 0
83 mol 236 unq 11 iso 1 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.2525 11.3368 6.84306 7.68742 14.8917 9.90963 8.03456 9.81562 5.79505 numMergedOcc 0
84 mol 236 unq 12 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 14.8917 9.90963 8.03456 9.81562 17.0539 11.1557 9.78037 13.499 6.96005 numMergedOcc 0
85 mol 236 unq 12 iso 1 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 17.0539 11.1557 9.78037 13.499 14.8917 9.90963 8.03456 9.81562 6.96005 numMergedOcc 0
86 mol 236 unq 13 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 14.8917 9.90963 8.03456 9.81562 15.4718 10.7497 8.35971 11.2141 14.2337 numMergedOcc 0
87 mol 236 unq 13 iso 1 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.4718 10.7497 8.35971 11.2141 14.8917 9.90963 8.03456 9.81562 14.2337 numMergedOcc 0
88 mol 236 unq 12 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.2525 11.3368 6.84306 7.68742 17.0539 11.1557 9.78037 13.499 11.8739 numMergedOcc 0
89 mol 236 unq 12 iso 1 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 17.0539 11.1557 9.78037 13.499 15.2525 11.3368 6.84306 7.68742 11.8739 numMergedOcc 0
90 mol 236 unq 13 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.2525 11.3368 6.84306 7.68742 15.4718 10.7497 8.35971 11.2141 14.7998 numMergedOcc 0
91 mol 236 unq 13 iso 1 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.4718 10.7497 8.35971 11.2141 15.2525 11.3368 6.84306 7.68742 14.7998 numMergedOcc 0
92 mol 236 unq 13 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 17.0539 11.1557 9.78037 13.499 15.4718 10.7497 8.35971 11.2141 12.0369 numMergedOcc 0
93 mol 236 unq 13 iso 1 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.4718 10.7497 8.35971 11.2141 17.0539 11.1557 9.78037 13.499 12.0369 numMergedOcc 0
94 mol 236 unq 14 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 14.8917 9.90963 9.81562 8.03456 15.2525 11.3368 7.68742 6.84306 5.79505 numMergedOcc 0
95 mol 236 unq 14 iso 1 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 15.2525 11.3368 7.68742 6.84306 14.8917 9.90963 9.81562 8.03456 5.79505 numMergedOcc 0
96 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 12.3795 4.86771 7.84554 9.95973 11.1503 6.96053 7.46176 10.3935 7.64658 numMergedOcc 0
97 mol 259 unq 0 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 11.1503 6.96053 7.46176 10.3935 12.3795 4.86771 7.84554 9.95973 7.64658 numMergedOcc 0
98 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 12.3795 4.86771 7.84554 9.95973 17.0226 10.4881 9.18903 12.6839 5.87173 numMergedOcc 0
99 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 17.0226 10.4881 9.18903 12.6839 12.3795 4.86771 7.84554 9.95973 5.87173 numMergedOcc 0
100 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 11.1503 6.96053 7.46176 10.3935 17.0226 10.4881 9.18903 12.6839 10.5239 numMergedOcc 0
101 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 17.0226 10.4881 9.18903 12.6839 11.1503 6.96053 7.46176 10.3935 10.5239 numMergedOcc 0
