REMARK Name = BDB024253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.827 -1.315 0.264 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.501 -2.798 0.359 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.453 -3.430 1.613 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.115 -4.780 1.714 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.822 -5.515 0.567 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.867 -4.903 -0.683 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.204 -3.553 -0.788 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.646 -0.950 0.245 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.714 -1.928 0.500 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.589 -0.389 0.024 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.771 0.790 -0.296 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 4.518 0.565 -0.045 0.00 0.00 +0.038 A ATOM 13 C LIG 1 3.441 1.398 -0.338 0.00 0.00 +0.136 A ATOM 14 F LIG 1 3.638 2.668 -0.725 0.00 0.00 -0.205 F ATOM 15 C LIG 1 2.125 0.948 -0.258 0.00 0.00 +0.082 A ATOM 16 C LIG 1 1.904 -0.361 0.121 0.00 0.00 +0.128 A ATOM 17 N LIG 1 2.916 -1.204 0.414 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 4.184 -0.730 0.325 0.00 0.00 +0.124 A BRANCH 12 23 ATOM 19 C LIG 1 8.637 3.344 -0.067 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.718 2.233 -0.116 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.192 0.987 -0.288 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.091 0.232 -0.295 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.905 0.986 -0.118 0.00 0.00 +0.024 A ATOM 24 C LIG 1 6.359 2.283 0.002 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.814 -1.037 -0.807 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.757 -0.038 -1.031 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.195 -1.369 -0.436 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.875 -0.390 0.540 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.024 1.011 -0.009 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.074 1.321 -0.884 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.203 2.610 -1.408 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.280 3.602 -1.065 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.229 3.299 -0.196 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.102 2.011 0.330 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.412 4.924 -1.603 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.524 5.995 -2.037 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9