REMARK Name = BDB024832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.748 -3.996 0.264 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.033 -2.702 -0.207 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.424 -2.187 -0.164 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.319 -2.904 -1.192 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.565 -0.676 -0.414 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.441 0.086 0.249 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.153 -0.409 -0.342 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.095 0.469 -0.653 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.031 1.834 -0.515 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.160 2.197 -0.944 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.889 1.090 -1.326 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.095 -0.025 -1.172 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.296 -1.385 -1.412 0.00 0.00 +0.030 A ATOM 14 C LIG 1 0.757 -2.251 -1.090 0.00 0.00 +0.026 A ATOM 15 C LIG 1 1.971 -1.795 -0.552 0.00 0.00 +0.045 A ATOM 16 O LIG 1 1.637 -4.511 0.343 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.635 -5.965 1.201 0.00 0.00 +0.282 C ATOM 18 O LIG 1 3.869 -4.649 0.695 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.276 1.083 -1.752 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -3.219 1.203 -0.572 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -3.216 0.121 0.288 0.00 0.00 -0.311 N ATOM 22 H LIG 1 -2.405 -0.486 0.260 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.944 2.182 -0.421 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.004 0.144 1.508 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 C LIG 1 -4.299 -1.277 2.010 0.00 0.00 +0.081 C ATOM 26 C LIG 1 -4.880 -2.273 0.958 0.00 0.00 +0.036 C ATOM 27 C LIG 1 -4.048 -3.380 1.633 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -3.111 -2.282 2.170 0.00 0.00 +0.036 C BRANCH 25 29 ATOM 29 O LIG 1 -5.120 -1.170 3.206 0.00 0.00 -0.387 OA ATOM 30 H LIG 1 -4.524 -0.840 3.901 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.680 3.600 -0.986 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 0.443 4.619 -0.824 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 -0.061 5.979 -0.846 0.00 0.00 -0.271 N ATOM 34 N LIG 1 -0.556 6.490 -1.990 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 -0.916 7.730 -1.650 0.00 0.00 +0.134 A ATOM 36 C LIG 1 -0.653 8.013 -0.299 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -0.098 6.858 0.198 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 9