0 mol 7 unq 0 iso 0 dist 8.72114 9.67164 5.5683 11.8172 6.02702 10.2465 10.515 9.97624 8.81608 15.9584 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 11.7498 7.48342 9.84471 6.67334 6.50647 9.51568 6.29685 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 8.62608 4.74544 6.9103 11.7069 6.04903 9.1062 5.49555 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 8.62608 7.56205 9.69044 5.49555 6.04903 9.1062 11.7069 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.40073 4.47349 5.2571 8.70415 6.0129 6.61111 10.0962 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 10.2427 5.65185 8.7497 8.70415 6.0129 6.61111 11.2452 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 4.47349 7.54889 3.92737 8.40073 6.7117 9.81956 10.0962 6.0129 4.44979 8.70415 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 4.47349 7.54889 3.92737 5.02887 5.65185 7.78931 10.0962 6.0129 4.44979 11.2452 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 4.47349 5.2571 3.94967 8.40073 6.7117 5.10496 10.0962 6.0129 6.61111 8.70415 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 4.47349 5.2571 3.94967 5.02887 5.65185 8.7497 10.0962 6.0129 6.61111 11.2452 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 5.65185 7.78931 3.92737 10.2427 6.7117 9.81956 11.2452 6.0129 4.44979 8.70415 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 5.65185 7.78931 3.92737 5.02887 4.47349 7.54889 11.2452 6.0129 4.44979 10.0962 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 5.65185 8.7497 3.94967 10.2427 6.7117 5.10496 11.2452 6.0129 6.61111 8.70415 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 5.65185 8.7497 3.94967 5.02887 4.47349 5.2571 11.2452 6.0129 6.61111 10.0962 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.00526 7.69991 11.2896 5.3585 8.55616 7.43401 6.69989 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 6.23142 9.33094 6.93712 5.00526 7.69991 11.2896 5.41704 8.73604 11.7151 10.1448 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.23142 9.33094 6.93712 6.81259 9.94764 8.69531 5.3585 8.55616 7.43401 6.74887 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 6.23142 9.33094 6.93712 6.81259 9.94764 8.69531 5.41704 8.73604 11.7151 6.17103 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 9.94764 9.1998 11.5269 11.3271 7.69991 12.4385 6.74887 8.55616 6.44575 6.69989 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 9.94764 9.1998 11.5269 11.3271 7.69991 12.4385 6.17103 8.73604 14.0978 10.1448 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 9.94764 9.1998 11.5269 6.81259 6.23142 11.0808 6.74887 8.55616 6.44575 5.3585 numMergedOcc 0
21 mol 134 unq 7 iso 0 dist 9.94764 9.1998 11.5269 6.81259 6.23142 11.0808 6.17103 8.73604 14.0978 5.41704 numMergedOcc 0
22 mol 134 unq 8 iso 0 dist 9.94764 8.69531 6.93712 11.3271 7.69991 11.2896 6.74887 8.55616 7.43401 6.69989 numMergedOcc 0
23 mol 134 unq 9 iso 0 dist 9.94764 8.69531 6.93712 11.3271 7.69991 11.2896 6.17103 8.73604 11.7151 10.1448 numMergedOcc 0
24 mol 134 unq 10 iso 0 dist 9.94764 8.69531 6.93712 6.81259 6.23142 9.33094 6.74887 8.55616 7.43401 5.3585 numMergedOcc 0
25 mol 134 unq 11 iso 0 dist 9.94764 8.69531 6.93712 6.81259 6.23142 9.33094 6.17103 8.73604 11.7151 5.41704 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 6.01247 6.22122 8.59874 6.25083 9.06217 14.5897 10.5753 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 6.2479 9.76212 6.39406 6.01247 6.22122 8.59874 4.77278 7.13252 12.3788 5.88819 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 6.2479 9.76212 6.39406 8.88798 7.99195 13.2783 6.25083 9.06217 14.5897 5.86342 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 6.2479 9.76212 6.39406 8.88798 7.99195 13.2783 4.77278 7.13252 12.3788 9.14057 numMergedOcc 0
30 mol 181 unq 4 iso 0 dist 6.22122 8.59874 6.39406 6.01247 6.2479 9.76212 10.5753 9.06217 14.5897 6.25083 numMergedOcc 0
31 mol 181 unq 5 iso 0 dist 6.22122 8.59874 6.39406 6.01247 6.2479 9.76212 5.88819 7.13252 12.3788 4.77278 numMergedOcc 0
32 mol 181 unq 6 iso 0 dist 6.22122 8.59874 6.39406 12.6324 7.99195 13.2783 10.5753 9.06217 14.5897 5.86342 numMergedOcc 0
33 mol 181 unq 7 iso 0 dist 6.22122 8.59874 6.39406 12.6324 7.99195 13.2783 5.88819 7.13252 12.3788 9.14057 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 14.5862 8.73217 10.8806 10.5203 9.84492 12.8056 11.7299 numMergedOcc 0
35 mol 186 unq 1 iso 0 dist 8.73217 6.61112 4.03697 14.5862 7.76163 11.651 11.7299 9.84492 10.5584 10.5203 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 10.0191 7.57812 14.4013 11.0401 8.90076 17.0286 5.11565 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.24557 9.72188 17.1065 10.0191 7.57812 14.4013 8.85181 6.87131 18.3572 13.0842 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 9.24557 9.72188 17.1065 10.0191 7.57812 14.4013 11.9142 8.09718 21.4884 13.171 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 7.98231 9.46361 4.10176 6.96053 7.08526 6.95511 11.6195 8.71497 9.43105 5.79468 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 7.08526 5.85442 4.47425 6.96053 7.98231 10.3406 5.79468 8.71497 6.23661 11.6195 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 7.08526 6.95511 4.10176 6.96053 7.98231 9.46361 5.79468 8.71497 9.43105 11.6195 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 7.23534 5.59555 8.59762 4.62998 numMergedOcc 0
43 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 7.23534 5.59555 8.59762 4.62998 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 7.23534 5.59555 8.59762 4.62998 numMergedOcc 0
