REMARK Name = BDB024143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.163 -2.702 1.169 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.973 -3.973 0.350 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.954 -3.971 -1.056 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.750 -5.155 -1.768 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.555 -6.355 -1.089 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.558 -6.373 0.303 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.762 -5.191 1.018 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.300 -1.308 0.426 0.00 0.00 -0.283 N ATOM 9 H LIG 1 0.908 -1.291 -0.390 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.786 -2.050 1.488 0.00 0.00 +0.239 C ATOM 11 O LIG 1 0.235 -2.215 2.574 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 -3.052 1.258 0.112 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -2.255 0.968 -1.000 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.171 0.093 -0.881 0.00 0.00 +0.063 A ATOM 15 CL LIG 1 -0.241 -0.245 -2.304 0.00 0.00 -0.082 Cl ATOM 16 C LIG 1 -0.854 -0.505 0.351 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -1.673 -0.245 1.449 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -2.762 0.630 1.330 0.00 0.00 +0.010 A BRANCH 12 23 ATOM 19 C LIG 1 -5.872 5.118 -1.214 0.00 0.00 +0.172 C ATOM 20 N LIG 1 -5.383 3.917 -0.582 0.00 0.00 -0.274 N ATOM 21 N LIG 1 -6.128 3.311 0.360 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -5.380 2.267 0.725 0.00 0.00 +0.142 A ATOM 23 C LIG 1 -4.157 2.194 0.016 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -4.196 3.289 -0.823 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 3.042 -1.712 0.480 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 3.848 -2.220 0.111 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.539 -0.708 1.439 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 4.121 0.525 0.729 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 3.080 1.411 0.080 0.00 0.00 -0.046 A ATOM 30 C LIG 1 2.104 2.055 0.855 0.00 0.00 +0.005 A ATOM 31 C LIG 1 1.139 2.868 0.255 0.00 0.00 +0.019 A ATOM 32 C LIG 1 1.146 3.058 -1.129 0.00 0.00 +0.052 A ATOM 33 C LIG 1 2.127 2.436 -1.907 0.00 0.00 +0.019 A ATOM 34 C LIG 1 3.086 1.615 -1.306 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 0.135 3.863 -1.749 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -0.695 4.502 -2.250 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9