REMARK Name = BDB021483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.840 -1.168 1.240 0.00 0.00 +0.124 A ATOM 2 C LIG 1 3.636 -0.159 0.302 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.432 0.581 0.249 0.00 0.00 +0.136 A ATOM 4 O LIG 1 2.492 1.510 -0.748 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 1.526 2.545 -0.767 0.00 0.00 +0.248 C ATOM 6 C LIG 1 0.153 1.970 -1.042 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -0.526 1.671 0.209 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.023 0.902 1.231 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.643 0.677 2.245 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.392 0.290 1.142 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.623 -0.730 2.093 0.00 0.00 +0.020 A ATOM 12 C LIG 1 2.824 -1.443 2.144 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.959 -1.935 1.388 0.00 0.00 -0.490 OA BRANCH 13 14 ATOM 14 C LIG 1 6.013 -1.796 0.433 0.00 0.00 +0.248 C BRANCH 14 15 ATOM 15 C LIG 1 6.989 -0.692 0.847 0.00 0.00 +0.148 C BRANCH 15 18 ATOM 16 O LIG 1 6.987 0.598 -1.756 0.00 0.00 -0.276 OA ATOM 17 C LIG 1 7.973 0.024 -1.326 0.00 0.00 +0.216 C ATOM 18 N LIG 1 8.110 -0.547 -0.067 0.00 0.00 -0.298 N ATOM 19 C LIG 1 9.284 -1.376 0.012 0.00 0.00 +0.108 C ATOM 20 C LIG 1 10.197 -0.769 -1.036 0.00 0.00 +0.028 C ATOM 21 C LIG 1 9.233 -0.266 -2.105 0.00 0.00 +0.097 C ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 -1.938 2.077 0.334 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.924 0.949 -0.035 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.658 0.549 -1.391 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.853 0.004 -1.341 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.381 1.458 0.084 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.419 0.406 0.200 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.733 1.047 0.425 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.906 0.092 0.409 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.804 -1.162 -0.214 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.916 -2.015 -0.252 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -10.130 -1.614 0.303 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -10.241 -0.364 0.908 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.483 -1.611 -0.779 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -9.136 0.486 0.958 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.494 -0.455 -0.991 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 9