0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 12.1754 7.63133 10.8455 8.8641 6.92781 5.05803 12.5273 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.76968 12.1754 7.63133 4.2139 6.31718 10.8455 13.862 5.32694 5.46498 10.9143 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 9.76968 12.1754 7.63133 4.2139 6.31718 10.8455 19.1237 10.4155 8.71745 16.4009 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 12.9591 10.8455 7.63133 12.5273 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 14.4535 10.0952 6.86014 12.5077 numMergedOcc 0
5 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 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 12.9363 6.45462 8.93915 14.7803 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 4.18584 6.43774 5.24762 14.4598 8.81358 7.58835 11.2563 numMergedOcc 0
8 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 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 5.29688 6.85766 10.0246 14.3301 8.19458 8.25513 14.0127 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 10.1919 7.95579 4.26409 10.7244 5.42586 7.97049 11.3023 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 7.83419 7.66905 6.9948 10.7244 5.42586 7.97049 7.47541 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 10.7244 5.42586 7.47541 11.3023 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 11.7434 10.1164 5.73196 15.309 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 10.7244 5.42586 7.47541 7.97049 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 11.7434 10.1164 5.73196 11.2656 numMergedOcc 0
16 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 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 13.9545 13.8105 8.83255 16.9811 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 5.28901 7.30858 10.8507 12.5189 7.69052 9.33865 13.8473 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 12.5189 7.69052 9.33865 6.11741 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 12.5189 7.69052 6.11741 13.8473 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 12.5189 7.69052 6.11741 9.33865 numMergedOcc 0
22 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 12.6493 8.02349 9.33865 5.83991 numMergedOcc 0
23 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 14.1021 11.5723 7.30858 13.8473 numMergedOcc 0
24 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 12.6493 8.02349 5.83991 9.33865 numMergedOcc 0
25 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 13.7044 8.02349 9.33865 5.83991 numMergedOcc 0
26 mol 115 unq 8 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 17.0624 11.5723 7.30858 13.8473 numMergedOcc 0
27 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 13.7044 8.02349 5.83991 9.33865 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.27151 7.83136 7.22206 18.7881 13.1058 9.84395 16.5575 numMergedOcc 0
29 mol 117 unq 1 iso 0 dist 6.90827 10.4485 7.90328 4.45276 7.0603 9.3584 18.7881 13.1058 9.84395 17.163 numMergedOcc 0
30 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 10.6616 7.83136 7.22206 20.7361 13.1058 9.84395 16.5575 numMergedOcc 0
31 mol 117 unq 3 iso 0 dist 8.90977 13.8755 7.90328 4.98254 7.0603 9.3584 20.7361 13.1058 9.84395 17.163 numMergedOcc 0
32 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 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 9.3894 13.0836 9.52634 4.84607 6.5107 9.56949 14.8299 7.6656 7.24514 12.0352 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 5.82404 5.37072 8.00618 10.2385 6.29155 11.965 9.50322 8.18495 7.11802 13.268 numMergedOcc 0
35 mol 133 unq 3 iso 0 dist 5.82404 5.37072 8.00618 4.64588 6.80239 7.79672 9.50322 8.18495 7.11802 12.6651 numMergedOcc 0
36 mol 133 unq 4 iso 0 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 15.5083 11.965 6.29155 13.268 numMergedOcc 0
37 mol 133 unq 5 iso 0 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 11.5178 7.79672 6.80239 12.6651 numMergedOcc 0
38 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 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 14.0674 8.80819 6.49416 12.5075 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 9.60411 5.49782 9.71307 6.37586 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 9.92932 5.49782 8.94367 9.86662 numMergedOcc 0
42 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 14.0674 5.00817 6.49416 12.5075 numMergedOcc 0
43 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 9.92932 5.49782 9.86662 8.94367 numMergedOcc 0
44 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 12.1043 5.49782 6.37586 9.71307 numMergedOcc 0
45 mol 134 unq 7 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 16.0579 8.80819 6.49416 12.5075 numMergedOcc 0
46 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 12.1043 5.49782 9.71307 6.37586 numMergedOcc 0
47 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 numMergedOcc 0
48 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 12.6103 6.4896 8.67331 14.1618 numMergedOcc 0
49 mol 152 unq 2 iso 0 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 13.1529 5.42328 5.87555 8.87437 numMergedOcc 0
50 mol 152 unq 3 iso 0 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 12.6103 6.4896 8.67331 8.05741 numMergedOcc 0
51 mol 152 unq 4 iso 0 dist 8.07256 8.36099 7.16148 10.4039 8.56324 10.6875 13.1529 5.42328 8.87437 10.399 numMergedOcc 0
52 mol 152 unq 5 iso 0 dist 8.07256 8.36099 7.16148 10.4039 8.56324 10.6875 12.6103 6.4896 8.05741 14.1618 numMergedOcc 0
53 mol 152 unq 6 iso 0 dist 8.07256 8.36099 7.16148 11.1874 6.70283 5.49936 13.1529 5.42328 8.87437 5.87555 numMergedOcc 0
54 mol 152 unq 7 iso 0 dist 8.07256 8.36099 7.16148 11.1874 6.70283 5.49936 12.6103 6.4896 8.05741 8.67331 numMergedOcc 0
55 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 9.98893 8.95269 4.70378 8.46129 5.0744 6.60589 9.99123 numMergedOcc 0
56 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 6.51315 5.78342 8.49799 8.46129 5.0744 6.60589 9.16166 numMergedOcc 0
57 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 8.46129 5.0744 9.16166 9.99123 numMergedOcc 0
58 mol 224 unq 3 iso 0 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 9.2053 5.60236 5.81334 14.0676 numMergedOcc 0
59 mol 224 unq 4 iso 0 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 8.46129 5.0744 9.16166 6.60589 numMergedOcc 0
60 mol 224 unq 5 iso 0 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 9.2053 5.60236 5.81334 10.5128 numMergedOcc 0
61 mol 224 unq 6 iso 0 dist 8.46129 5.72088 6.60589 6.31508 6.65832 6.77699 8.39002 5.0744 6.57273 10.103 numMergedOcc 0
62 mol 224 unq 7 iso 0 dist 8.46129 5.72088 6.60589 6.51315 9.16166 8.49799 8.39002 5.0744 6.57273 5.78342 numMergedOcc 0
63 mol 224 unq 8 iso 0 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 8.39002 5.0744 5.78342 10.103 numMergedOcc 0
64 mol 224 unq 9 iso 0 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 9.2053 6.91102 5.81334 10.9745 numMergedOcc 0
65 mol 224 unq 10 iso 0 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 8.39002 5.0744 5.78342 6.57273 numMergedOcc 0
66 mol 224 unq 11 iso 0 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 9.2053 6.91102 5.81334 10.5128 numMergedOcc 0
67 mol 229 unq 0 iso 0 dist 8.6537 10.7439 7.03423 8.65216 8.22528 5.57838 13.754 6.84129 9.06952 13.2905 numMergedOcc 0
68 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 6.94762 6.7625 7.82322 12.3151 5.88703 6.56247 9.36357 numMergedOcc 0
69 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 12.0816 9.45496 7.82322 12.3151 5.88703 9.36357 6.56247 numMergedOcc 0
70 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 numMergedOcc 0
71 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 numMergedOcc 0
72 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 numMergedOcc 0
73 mol 236 unq 3 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 9.05929 14.7998 8.35971 11.2141 numMergedOcc 0
74 mol 236 unq 4 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 11.3361 5.79505 9.81562 8.03456 numMergedOcc 0
75 mol 236 unq 5 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 14.0991 11.3368 6.27581 9.99038 numMergedOcc 0
76 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 numMergedOcc 0
77 mol 236 unq 7 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 9.89665 14.7998 6.84306 13.5269 numMergedOcc 0
78 mol 236 unq 8 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 14.0991 10.7497 9.99038 15.7308 numMergedOcc 0
79 mol 236 unq 9 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.8422 12.0369 9.78037 14.9122 numMergedOcc 0
80 mol 236 unq 10 iso 0 dist 8.90987 5.26654 8.03456 3.82437 6.84306 5.79505 11.2664 7.28249 9.81562 7.68742 numMergedOcc 0
81 mol 236 unq 11 iso 0 dist 8.90987 5.26654 8.03456 13.8124 9.99038 9.90963 11.2664 7.28249 9.81562 6.27581 numMergedOcc 0
82 mol 236 unq 12 iso 0 dist 8.90987 5.26654 8.03456 11.2846 9.78037 6.96005 11.2664 7.28249 9.81562 13.499 numMergedOcc 0
83 mol 236 unq 13 iso 0 dist 8.90987 5.26654 8.03456 16.8883 8.35971 14.2337 11.2664 7.28249 9.81562 11.2141 numMergedOcc 0
84 mol 236 unq 14 iso 0 dist 8.90987 3.82437 6.84306 5.26654 8.03456 5.79505 11.2664 7.28249 7.68742 9.81562 numMergedOcc 0
85 mol 236 unq 15 iso 0 dist 8.90987 3.82437 6.84306 13.8124 9.99038 11.3368 11.2664 7.28249 7.68742 6.27581 numMergedOcc 0
86 mol 236 unq 16 iso 0 dist 8.90987 3.82437 6.84306 11.2846 9.78037 11.8739 11.2664 7.28249 7.68742 13.499 numMergedOcc 0
87 mol 236 unq 17 iso 0 dist 8.90987 3.82437 6.84306 16.8883 8.35971 14.7998 11.2664 7.28249 7.68742 11.2141 numMergedOcc 0
88 mol 236 unq 18 iso 0 dist 8.90987 13.8124 9.99038 5.26654 8.03456 9.90963 11.2664 7.28249 6.27581 9.81562 numMergedOcc 0
89 mol 236 unq 19 iso 0 dist 8.90987 13.8124 9.99038 3.82437 6.84306 11.3368 11.2664 7.28249 6.27581 7.68742 numMergedOcc 0
90 mol 236 unq 20 iso 0 dist 8.90987 13.8124 9.99038 11.2846 9.78037 11.1557 11.2664 7.28249 6.27581 13.499 numMergedOcc 0
91 mol 236 unq 21 iso 0 dist 8.90987 13.8124 9.99038 16.8883 8.35971 10.7497 11.2664 7.28249 6.27581 11.2141 numMergedOcc 0
92 mol 236 unq 22 iso 0 dist 8.90987 16.8883 8.35971 5.26654 8.03456 14.2337 15.2598 7.43758 8.04248 15.1853 numMergedOcc 0
93 mol 236 unq 23 iso 0 dist 8.90987 16.8883 8.35971 3.82437 6.84306 14.7998 15.2598 7.43758 8.04248 13.5269 numMergedOcc 0
94 mol 236 unq 24 iso 0 dist 8.90987 16.8883 8.35971 13.8124 9.99038 10.7497 15.2598 7.43758 8.04248 15.7308 numMergedOcc 0
95 mol 236 unq 25 iso 0 dist 8.90987 16.8883 8.35971 11.2846 9.78037 12.0369 15.2598 7.43758 8.04248 14.9122 numMergedOcc 0
96 mol 236 unq 26 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 12.3675 9.90963 8.03456 9.81562 numMergedOcc 0
97 mol 236 unq 27 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 11.0771 11.3368 6.84306 7.68742 numMergedOcc 0
98 mol 236 unq 28 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 15.7385 11.1557 9.78037 13.499 numMergedOcc 0
99 mol 236 unq 29 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 13.3367 10.7497 8.35971 11.2141 numMergedOcc 0
100 mol 236 unq 30 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 12.3675 9.90963 9.81562 8.03456 numMergedOcc 0
101 mol 236 unq 31 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 11.0771 11.3368 7.68742 6.84306 numMergedOcc 0
102 mol 236 unq 32 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 14.8917 9.90963 8.03456 9.81562 numMergedOcc 0
103 mol 236 unq 33 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.2525 11.3368 6.84306 7.68742 numMergedOcc 0
104 mol 236 unq 34 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 17.0539 11.1557 9.78037 13.499 numMergedOcc 0
105 mol 236 unq 35 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.4718 10.7497 8.35971 11.2141 numMergedOcc 0
106 mol 236 unq 36 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 14.8917 9.90963 9.81562 8.03456 numMergedOcc 0
107 mol 236 unq 37 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 15.2525 11.3368 7.68742 6.84306 numMergedOcc 0
108 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 4.62072 8.53687 10.582 9.73107 4.69778 7.88519 10.5767 numMergedOcc 0
109 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 12.3391 10.582 8.53687 10.5767 numMergedOcc 0
110 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 12.3795 4.86771 7.84554 9.95973 numMergedOcc 0
111 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 11.1503 6.96053 7.46176 10.3935 numMergedOcc 0
112 mol 259 unq 4 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 17.0226 10.4881 9.18903 12.6839 numMergedOcc 0
