0 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 11.7823 6.73162 7.23546 3.30063 7.98005 12.5438 8.62111 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.7522 15.0931 8.34347 11.7823 6.73162 7.23546 8.44515 8.31381 8.39015 9.18438 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 6.35048 9.83618 10.4442 4.15592 9.02471 12.6657 10.4465 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 4.15592 9.02471 14.0654 10.4465 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 6.09663 7.17488 4.59417 4.43437 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 7.10144 8.66514 8.4283 3.48087 9.07128 10.8406 3.99025 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 9.72689 13.7794 9.36773 7.10144 8.66514 8.4283 10.0091 6.65615 4.47193 6.69123 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 9.72689 13.7794 9.36773 9.32959 9.25235 5.37521 3.48087 9.07128 10.8406 6.08504 numMergedOcc 0
8 mol 88 unq 3 iso 0 dist 9.72689 13.7794 9.36773 9.32959 9.25235 5.37521 10.0091 6.65615 4.47193 3.77436 numMergedOcc 0
9 mol 88 unq 4 iso 0 dist 7.74197 4.0486 9.36773 10.0278 8.66514 8.4283 12.4888 9.07128 10.8406 3.99025 numMergedOcc 0
10 mol 88 unq 5 iso 0 dist 7.74197 4.0486 9.36773 10.0278 8.66514 8.4283 6.15983 6.65615 4.47193 6.69123 numMergedOcc 0
11 mol 88 unq 6 iso 0 dist 7.74197 4.0486 9.36773 8.37153 9.25235 5.37521 12.4888 9.07128 10.8406 6.08504 numMergedOcc 0
12 mol 88 unq 7 iso 0 dist 7.74197 4.0486 9.36773 8.37153 9.25235 5.37521 6.15983 6.65615 4.47193 3.77436 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 3.97269 8.80895 11.6692 6.25029 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 3.97269 8.80895 11.6692 13.4297 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 6.51591 9.13561 5.99333 12.8334 9.00072 12.2243 11.2183 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 12.8334 9.00072 4.73288 11.2183 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 6.51591 9.13561 7.89109 12.8334 9.00072 4.70284 11.2183 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 11.14 7.98142 9.53462 3.59953 8.29467 6.13927 9.55459 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 10.9006 7.37327 11.1462 3.59953 8.29467 6.13927 7.66761 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 11.14 7.98142 9.60512 3.59953 8.29467 13.2274 9.55459 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 10.9006 7.37327 13.3389 3.59953 8.29467 13.2274 7.66761 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 5.78005 6.82208 4.8892 9.08651 5.1609 6.91863 3.72064 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 9.55777 15.3892 7.7699 5.78005 6.82208 11.0074 9.08651 5.1609 8.26703 3.72064 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 9.55777 16.4881 7.21333 5.78005 6.82208 12.2813 9.08651 5.1609 8.89157 3.72064 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 3.76405 8.08965 4.75609 14.2299 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 12.0808 8.08965 4.75609 14.2299 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 7.67598 8.99993 8.29103 9.40096 5.24676 4.22352 8.46364 4.80903 5.08421 3.89364 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 10.6139 9.18798 5.96249 10.5148 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 9.58753 8.25897 5.97386 11.0001 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 13.8592 9.41725 6.58374 7.31817 4.9764 11.8607 13.6468 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 13.8592 9.41725 6.58374 3.91224 6.36559 10.9137 13.3297 numMergedOcc 0
