0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 12.2041 7.88043 10.3148 11.8172 14.9635 6.02702 15.8875 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 12.2041 5.72491 11.2662 5.13353 12.8015 9.68006 17.3085 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 12.4076 7.3915 8.53529 9.22548 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 10.9495 10.6335 7.18019 11.4134 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 8.09332 11.7258 8.44009 11.0684 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 12.4076 7.3915 8.53529 7.96511 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 10.9495 10.6335 7.18019 10.4705 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 8.09332 11.7258 8.44009 11.8672 numMergedOcc 0
8 mol 8 unq 6 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 10.9495 10.6335 7.18019 8.4069 numMergedOcc 0
9 mol 8 unq 7 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 8.09332 11.7258 8.44009 12.9016 numMergedOcc 0
10 mol 8 unq 8 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 8.4069 10.6335 7.18019 10.9495 numMergedOcc 0
11 mol 8 unq 9 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 12.9016 11.7258 8.44009 8.09332 numMergedOcc 0
12 mol 8 unq 10 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 12.4076 6.82379 7.03958 6.94408 numMergedOcc 0
13 mol 8 unq 11 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 8.4069 10.6335 7.18019 11.4134 numMergedOcc 0
14 mol 8 unq 12 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 12.9016 11.7258 8.44009 11.0684 numMergedOcc 0
15 mol 8 unq 13 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 12.4076 6.82379 7.03958 11.2508 numMergedOcc 0
16 mol 8 unq 14 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 8.4069 10.6335 7.18019 10.4705 numMergedOcc 0
17 mol 8 unq 15 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 12.9016 11.7258 8.44009 11.8672 numMergedOcc 0
18 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 6.14147 10.8213 7.32257 10.5747 numMergedOcc 0
19 mol 9 unq 1 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 10.5747 10.8213 7.32257 6.14147 numMergedOcc 0
20 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.8007 7.48847 15.4288 7.67038 10.1882 8.40416 7.83352 numMergedOcc 0
21 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 5.03957 6.36455 12.3215 7.67038 10.1882 8.40416 10.3915 numMergedOcc 0
22 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 11.4989 14.156 6.73939 18.3227 numMergedOcc 0
23 mol 24 unq 1 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 11.4989 13.0257 9.41441 19.2131 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 10.6808 5.81959 16.0183 10.9391 17.3821 7.45383 21.6105 numMergedOcc 0
25 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 9.78225 5.69955 10.177 7.96502 10.4035 6.46104 13.2136 numMergedOcc 0
26 mol 65 unq 0 iso 0 dist 5.69971 7.90294 6.00418 9.20128 9.83239 13.1118 14.4691 12.0267 9.34791 13.4807 numMergedOcc 0
27 mol 65 unq 1 iso 0 dist 5.69971 7.90294 6.00418 9.20128 9.83239 13.1118 10.2941 8.37515 8.22785 8.06868 numMergedOcc 0
28 mol 65 unq 2 iso 0 dist 5.69971 7.90294 6.00418 10.2941 8.37515 8.22785 14.4691 12.0267 9.34791 5.48814 numMergedOcc 0
29 mol 65 unq 3 iso 0 dist 8.37515 6.76508 7.18126 10.2941 5.69971 11.5413 5.48814 12.0267 6.72639 14.4691 numMergedOcc 0
30 mol 65 unq 4 iso 0 dist 8.37515 6.76508 7.18126 8.06868 9.83239 13.2643 5.48814 12.0267 6.72639 13.4807 numMergedOcc 0
31 mol 65 unq 5 iso 0 dist 8.37515 8.22785 6.00418 10.2941 5.69971 7.90294 5.48814 12.0267 9.34791 14.4691 numMergedOcc 0
32 mol 65 unq 6 iso 0 dist 8.37515 8.22785 6.00418 8.06868 9.83239 13.1118 10.2941 5.69971 7.90294 9.20128 numMergedOcc 0
33 mol 65 unq 7 iso 0 dist 8.37515 8.22785 6.00418 8.06868 9.83239 13.1118 5.48814 12.0267 9.34791 13.4807 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 10.6225 14.2622 5.78706 14.5131 numMergedOcc 0
35 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 11.4338 13.6237 7.23884 15.4363 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 7.72877 5.74854 7.5242 11.0242 numMergedOcc 0
37 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 10.6225 14.2622 5.78706 15.9181 numMergedOcc 0
38 mol 98 unq 4 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 11.4338 13.6237 7.23884 13.0364 numMergedOcc 0
39 mol 98 unq 5 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 7.72877 5.74854 7.5242 5.09649 numMergedOcc 0
40 mol 98 unq 6 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 10.6225 14.2622 5.78706 12.7411 numMergedOcc 0
41 mol 98 unq 7 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 11.4338 13.6237 7.23884 9.30161 numMergedOcc 0
42 mol 98 unq 8 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 10.6225 14.2622 5.78706 20.9739 numMergedOcc 0
43 mol 98 unq 9 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 11.4338 13.6237 7.23884 19.6082 numMergedOcc 0
44 mol 98 unq 10 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 7.72877 5.74854 7.5242 11.9511 numMergedOcc 0
45 mol 98 unq 11 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 10.6225 14.2622 5.78706 22.8854 numMergedOcc 0
46 mol 98 unq 12 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 11.4338 13.6237 7.23884 20.7357 numMergedOcc 0
47 mol 98 unq 13 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 7.72877 5.74854 7.5242 11.569 numMergedOcc 0
48 mol 98 unq 14 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 12.7411 14.2622 5.78706 10.6225 numMergedOcc 0
49 mol 98 unq 15 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 9.30161 13.6237 7.23884 11.4338 numMergedOcc 0
50 mol 98 unq 16 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 12.7411 14.2622 5.78706 14.5131 numMergedOcc 0
51 mol 98 unq 17 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 9.30161 13.6237 7.23884 15.4363 numMergedOcc 0
52 mol 98 unq 18 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 7.72877 5.88354 5.59328 4.50554 numMergedOcc 0
53 mol 98 unq 19 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 12.7411 14.2622 5.78706 15.9181 numMergedOcc 0
54 mol 98 unq 20 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 9.30161 13.6237 7.23884 13.0364 numMergedOcc 0
55 mol 98 unq 21 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 7.72877 5.88354 5.59328 7.40461 numMergedOcc 0
56 mol 98 unq 22 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 12.7411 14.2622 5.78706 20.9739 numMergedOcc 0
57 mol 98 unq 23 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 9.30161 13.6237 7.23884 19.6082 numMergedOcc 0
58 mol 98 unq 24 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 7.72877 5.88354 5.59328 10.51 numMergedOcc 0
59 mol 98 unq 25 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 12.7411 14.2622 5.78706 22.8854 numMergedOcc 0
60 mol 98 unq 26 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 9.30161 13.6237 7.23884 20.7357 numMergedOcc 0
61 mol 98 unq 27 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 7.72877 5.88354 5.59328 13.5683 numMergedOcc 0
62 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 11.4307 10.271 9.70413 14.7832 numMergedOcc 0
63 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.83844 9.02318 13.4961 5.99954 11.214 9.99156 10.8966 numMergedOcc 0
64 mol 148 unq 1 iso 0 dist 9.74542 9.91993 7.23332 8.72919 7.97543 12.1227 5.99954 11.214 9.99156 8.05787 numMergedOcc 0
65 mol 148 unq 2 iso 0 dist 9.74542 6.22055 7.89336 6.83844 9.02318 10.8708 5.99954 11.214 8.18085 10.8966 numMergedOcc 0
66 mol 148 unq 3 iso 0 dist 9.74542 6.22055 7.89336 8.72919 7.97543 11.2961 5.99954 11.214 8.18085 8.05787 numMergedOcc 0
67 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 8.77324 7.85526 12.1516 5.93095 11.0682 9.8656 8.10457 numMergedOcc 0
68 mol 150 unq 1 iso 0 dist 9.6606 9.96691 7.35366 6.98865 8.94552 13.6809 5.93095 11.0682 9.8656 10.952 numMergedOcc 0
69 mol 150 unq 2 iso 0 dist 9.6606 6.14675 7.86976 8.77324 7.85526 11.2313 5.93095 11.0682 7.94889 8.10457 numMergedOcc 0
70 mol 150 unq 3 iso 0 dist 9.6606 6.14675 7.86976 6.98865 8.94552 10.9703 5.93095 11.0682 7.94889 10.952 numMergedOcc 0
71 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 4.91149 11.3367 6.64834 11.6409 numMergedOcc 0
72 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 8.07119 11.661 7.36698 14.1033 numMergedOcc 0
73 mol 171 unq 2 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 4.91149 11.3367 6.64834 16.6897 numMergedOcc 0
74 mol 171 unq 3 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 7.31409 5.10618 8.24693 13.7214 numMergedOcc 0
75 mol 171 unq 4 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 8.07119 11.661 7.36698 14.3688 numMergedOcc 0
76 mol 171 unq 5 iso 0 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 7.31409 5.10618 6.71356 13.7214 numMergedOcc 0
77 mol 171 unq 6 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 11.6409 11.3367 6.64834 4.91149 numMergedOcc 0
78 mol 171 unq 7 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 14.1033 11.661 7.36698 8.07119 numMergedOcc 0
79 mol 171 unq 8 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 11.6409 11.3367 6.64834 16.6897 numMergedOcc 0
80 mol 171 unq 9 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 7.31409 7.71426 5.93786 13.6814 numMergedOcc 0
81 mol 171 unq 10 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 14.1033 11.661 7.36698 14.3688 numMergedOcc 0
82 mol 171 unq 11 iso 0 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 7.31409 7.71426 8.1344 13.6814 numMergedOcc 0
83 mol 186 unq 0 iso 0 dist 7.20574 8.73217 11.8992 5.74635 6.85302 14.2425 14.5862 19.2622 7.76163 20.2787 numMergedOcc 0
84 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 8.31875 11.0084 6.21292 12.0774 numMergedOcc 0
85 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 10.5547 11.2916 9.21736 9.36951 numMergedOcc 0
86 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 14.5975 10.065 6.99315 12.2818 numMergedOcc 0
87 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 5.40359 6.4398 10.1217 10.0191 7.32982 9.24557 10.1648 numMergedOcc 0
88 mol 238 unq 1 iso 0 dist 7.32982 9.24557 4.77308 10.1648 6.4398 10.1217 10.0191 6.66971 7.57812 5.40359 numMergedOcc 0
89 mol 258 unq 0 iso 0 dist 9.1925 9.63959 4.22544 4.26007 8.15467 10.3917 12.4198 11.3842 9.96262 13.1978 numMergedOcc 0
90 mol 258 unq 1 iso 0 dist 9.1925 9.63959 4.22544 4.26007 8.15467 10.3917 12.321 11.3331 7.21311 15.0548 numMergedOcc 0
91 mol 258 unq 2 iso 0 dist 6.70815 7.21311 8.10604 7.26417 7.99477 11.2102 12.321 16.6122 9.63959 15.3294 numMergedOcc 0
92 mol 258 unq 3 iso 0 dist 6.70815 7.21311 8.10604 7.26417 7.99477 11.2102 10.7374 14.5215 9.96262 17.8129 numMergedOcc 0
93 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 9.98105 8.59697 10.4552 6.96053 10.5803 7.98231 15.8535 numMergedOcc 0
94 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.74345 9.12395 11.3027 8.29447 12.4198 8.00673 12.866 numMergedOcc 0
