REMARK Name = BDB058732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.292 1.521 0.368 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.341 0.033 0.677 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.730 -0.588 1.918 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.433 -1.944 1.809 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -1.623 -2.859 2.853 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.166 -2.374 4.044 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.503 -1.033 4.186 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -2.433 -3.462 5.352 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -0.929 -2.144 0.550 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -0.551 -3.029 0.243 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.290 -0.134 3.133 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -1.052 -1.009 -0.221 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -0.839 -0.925 -1.655 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -0.793 0.109 -2.305 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -0.787 -2.131 -2.268 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -1.053 -2.897 -1.737 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -3.658 1.816 -0.255 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.391 1.188 -1.007 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.659 2.219 0.621 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -2.845 3.034 1.521 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -5.731 1.953 1.093 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -5.045 2.301 -0.238 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -5.101 3.817 -0.485 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -5.809 1.595 -1.374 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.107 2.149 0.988 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -0.038 2.429 2.337 0.00 0.00 +0.329 C ATOM 27 O LIG 1 0.967 2.787 2.943 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 1.121 2.252 0.202 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 1.853 0.941 0.013 0.00 0.00 -0.030 A ATOM 30 C LIG 1 2.218 0.142 1.105 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.886 -1.069 0.908 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.223 -1.500 -0.376 0.00 0.00 +0.121 A ATOM 33 C LIG 1 2.890 -0.699 -1.466 0.00 0.00 +0.046 A ATOM 34 C LIG 1 2.217 0.513 -1.271 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 3.874 -2.701 -0.419 0.00 0.00 -0.486 OA BRANCH 35 36 ATOM 36 C LIG 1 4.335 -3.181 -1.688 0.00 0.00 +0.284 C BRANCH 36 37 ATOM 37 C LIG 1 5.577 -2.483 -2.197 0.00 0.00 +0.078 A ATOM 38 N LIG 1 5.627 -2.209 -3.527 0.00 0.00 -0.256 NA ATOM 39 C LIG 1 6.737 -1.596 -3.993 0.00 0.00 +0.111 A ATOM 40 C LIG 1 7.815 -1.244 -3.199 0.00 0.00 +0.020 A ATOM 41 C LIG 1 7.755 -1.540 -1.843 0.00 0.00 +0.003 A ATOM 42 C LIG 1 6.625 -2.171 -1.333 0.00 0.00 +0.027 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11