REMARK Name = BDB049610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.191 -1.716 0.516 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.988 -2.821 -0.368 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.618 -2.999 -0.504 0.00 0.00 +0.146 A ATOM 4 N LIG 1 0.009 -3.917 -1.271 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -0.840 -4.726 -1.942 0.00 0.00 +0.216 A ATOM 6 C LIG 1 -2.225 -4.657 -1.893 0.00 0.00 +0.068 A ATOM 7 N LIG 1 0.010 -2.059 0.279 0.00 0.00 -0.324 N ATOM 8 C LIG 1 -2.826 -3.686 -1.093 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -0.932 -1.302 0.956 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.560 -0.263 1.962 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -3.493 -1.179 0.908 0.00 0.00 +0.195 C ATOM 12 O LIG 1 -4.436 -1.914 1.189 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 -4.194 3.062 1.020 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -4.894 2.200 1.865 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.654 0.822 1.817 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -3.704 0.296 0.932 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -3.017 1.158 0.071 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -3.260 2.534 0.124 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 -5.271 5.010 1.854 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -4.330 4.421 0.965 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 O LIG 1 -0.329 -5.715 -2.766 0.00 0.00 -0.480 OA ATOM 22 C LIG 1 1.093 -5.782 -2.744 0.00 0.00 +0.279 C ENDBRANCH 5 21 BRANCH 7 23 ATOM 23 C LIG 1 1.462 -1.941 0.373 0.00 0.00 +0.158 C BRANCH 23 24 ATOM 24 C LIG 1 1.984 -0.811 -0.483 0.00 0.00 -0.024 A ATOM 25 C LIG 1 2.498 0.351 0.109 0.00 0.00 +0.052 A ATOM 26 C LIG 1 2.985 1.395 -0.681 0.00 0.00 +0.140 A ATOM 27 C LIG 1 2.922 1.309 -2.075 0.00 0.00 +0.083 A ATOM 28 CL LIG 1 3.452 2.602 -3.088 0.00 0.00 -0.080 Cl ATOM 29 C LIG 1 2.418 0.155 -2.675 0.00 0.00 +0.024 A ATOM 30 C LIG 1 1.958 -0.901 -1.884 0.00 0.00 +0.007 A BRANCH 26 31 ATOM 31 O LIG 1 3.437 2.519 -0.038 0.00 0.00 -0.476 OA BRANCH 31 32 ATOM 32 C LIG 1 4.865 2.532 0.079 0.00 0.00 +0.278 C ATOM 33 C LIG 1 5.284 3.998 0.118 0.00 0.00 +0.064 C BRANCH 32 34 ATOM 34 C LIG 1 5.372 1.833 1.351 0.00 0.00 +0.346 C ATOM 35 O LIG 1 4.670 1.443 2.273 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 6.719 1.659 1.369 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 7.187 1.986 0.578 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 10