REMARK Name = BDB062288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.042 1.401 -0.977 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.136 0.673 -0.193 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.883 0.286 -0.707 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -0.862 -0.457 0.135 0.00 0.00 +0.140 C ATOM 5 N LIG 1 0.305 -0.930 -0.635 0.00 0.00 -0.267 N ATOM 6 C LIG 1 0.637 -0.400 -1.857 0.00 0.00 +0.308 C ATOM 7 N LIG 1 -0.296 0.343 -2.503 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -0.026 0.667 -3.422 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 1.738 -0.582 -2.382 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -1.548 0.670 -2.000 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -2.438 1.398 -2.791 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.687 1.757 -2.281 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -7.065 0.734 -2.106 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -6.647 1.516 -0.920 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -5.334 1.780 -0.448 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -5.533 2.540 0.684 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -4.651 3.182 1.677 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -6.869 2.714 0.876 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -7.571 2.078 -0.130 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -1.491 -1.604 0.923 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.453 -1.600 2.328 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -2.021 -2.647 3.054 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.630 -3.710 2.388 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.669 -3.731 0.996 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.101 -2.686 0.265 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 1.376 -1.637 0.081 0.00 0.00 +0.193 C BRANCH 26 27 ATOM 27 C LIG 1 2.256 -0.682 0.895 0.00 0.00 +0.215 C ATOM 28 O LIG 1 1.779 -0.086 1.865 0.00 0.00 -0.287 OA BRANCH 27 29 ATOM 29 C LIG 1 3.622 -0.503 0.430 0.00 0.00 +0.177 A ATOM 30 N LIG 1 4.043 -0.537 -0.879 0.00 0.00 -0.336 N ATOM 31 H LIG 1 3.438 -0.650 -1.688 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 5.394 -0.302 -0.911 0.00 0.00 +0.067 A ATOM 33 C LIG 1 5.756 -0.151 0.426 0.00 0.00 +0.102 A ATOM 34 C LIG 1 7.107 0.097 0.728 0.00 0.00 +0.064 A ATOM 35 C LIG 1 8.039 0.200 -0.322 0.00 0.00 +0.015 A ATOM 36 C LIG 1 7.634 0.051 -1.650 0.00 0.00 +0.003 A ATOM 37 C LIG 1 6.298 -0.206 -1.973 0.00 0.00 +0.028 A ATOM 38 N LIG 1 4.641 -0.248 1.230 0.00 0.00 -0.224 NA BRANCH 34 39 ATOM 39 C LIG 1 7.551 0.226 2.126 0.00 0.00 +0.244 C ATOM 40 O LIG 1 7.266 -0.589 2.990 0.00 0.00 -0.270 OA ATOM 41 N LIG 1 8.336 1.314 2.403 0.00 0.00 -0.325 N ATOM 42 H LIG 1 8.510 1.480 3.386 0.00 0.00 +0.145 HD ATOM 43 H LIG 1 8.347 2.115 1.786 0.00 0.00 +0.145 HD ENDBRANCH 34 39 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 6