REMARK Name = BDB024957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.959 0.053 1.268 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.990 -0.723 0.607 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.410 -1.785 -0.341 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.061 -2.968 0.399 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.284 -2.359 -1.215 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.334 -1.267 -1.650 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.750 -0.661 -0.408 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.387 -0.305 -0.326 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.405 -0.448 -1.266 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.705 0.045 -0.742 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -0.472 0.483 0.555 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.878 0.281 0.822 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.688 0.550 1.929 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.044 0.204 1.838 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.592 -0.390 0.693 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.745 0.985 2.036 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.389 1.087 1.523 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.669 2.579 1.247 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.997 3.083 1.834 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.332 2.374 3.153 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.379 0.844 3.059 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.640 0.269 1.850 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.154 3.005 0.842 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.135 2.285 0.962 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.025 3.859 -0.200 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.183 4.352 -0.207 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.259 0.466 1.551 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.234 -0.310 0.929 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.990 0.073 -1.526 0.00 0.00 +0.184 C BRANCH 29 30 ATOM 30 O LIG 1 -2.757 1.196 -1.113 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -3.554 1.213 -1.676 0.00 0.00 +0.210 HD ENDBRANCH 29 30 BRANCH 29 32 ATOM 32 C LIG 1 -2.753 -1.256 -1.400 0.00 0.00 +0.074 C BRANCH 32 33 ATOM 33 C LIG 1 -3.973 -1.306 -2.292 0.00 0.00 -0.044 A ATOM 34 C LIG 1 -3.857 -1.702 -3.631 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.979 -1.718 -4.461 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.223 -1.336 -3.962 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.347 -0.936 -2.633 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.229 -0.921 -1.800 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 10 29 TORSDOF 8