REMARK Name = BDB024141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.030 -1.030 0.286 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.044 -2.433 0.875 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.276 -3.541 0.043 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.296 -4.833 0.570 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.089 -5.035 1.933 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.865 -3.946 2.772 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.845 -2.652 2.248 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.354 -0.621 -0.153 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.180 -1.342 -0.842 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.710 -0.289 0.678 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.657 0.469 1.647 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 3.931 -0.241 -0.997 0.00 0.00 +0.130 A ATOM 13 C LIG 1 4.358 0.794 -0.153 0.00 0.00 +0.027 A ATOM 14 C LIG 1 3.419 1.347 0.728 0.00 0.00 +0.014 A ATOM 15 C LIG 1 2.093 0.892 0.756 0.00 0.00 +0.024 A ATOM 16 C LIG 1 1.672 -0.122 -0.104 0.00 0.00 +0.037 A ATOM 17 C LIG 1 2.599 -0.678 -0.989 0.00 0.00 +0.069 A BRANCH 13 18 ATOM 18 C LIG 1 5.719 1.309 -0.184 0.00 0.00 +0.023 A ATOM 19 C LIG 1 6.423 1.760 0.914 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.650 2.142 0.453 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.738 2.686 1.228 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.804 1.968 -0.871 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.627 1.465 -1.258 0.00 0.00 +0.143 A ENDBRANCH 13 18 BRANCH 12 25 ATOM 24 C LIG 1 5.418 -1.966 -1.305 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.777 -0.836 -1.902 0.00 0.00 -0.494 OA ENDBRANCH 12 25 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -3.177 -0.198 0.698 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.098 -0.006 1.697 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.483 -0.767 0.367 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.619 0.235 0.632 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.708 1.336 -0.402 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.601 1.230 -1.477 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.675 2.243 -2.437 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.854 3.370 -2.335 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.958 3.479 -1.268 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.886 2.467 -0.308 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.930 4.407 -3.322 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.995 5.243 -4.124 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10