REMARK Name = BDB001888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.055 0.904 0.289 0.00 0.00 +0.108 A ATOM 2 C LIG 1 -1.269 -0.290 0.059 0.00 0.00 +0.047 A ATOM 3 C LIG 1 0.072 -0.636 -0.240 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.451 -2.000 -0.341 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.479 -3.054 -0.179 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -1.820 -2.718 0.104 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -2.811 -3.707 0.275 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -2.477 -5.052 0.157 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.167 -5.415 -0.138 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -0.183 -4.433 -0.309 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -2.162 -1.352 0.203 0.00 0.00 +0.144 A ATOM 12 O LIG 1 -3.418 -0.888 0.441 0.00 0.00 -0.458 OA ATOM 13 C LIG 1 -3.357 0.463 0.478 0.00 0.00 +0.117 A ATOM 14 C LIG 1 -4.642 1.155 0.739 0.00 0.00 +0.087 C ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 -1.703 2.314 0.362 0.00 0.00 +0.343 C ATOM 16 O LIG 1 -2.523 3.215 0.233 0.00 0.00 -0.245 OA BRANCH 15 17 ATOM 17 O LIG 1 -0.386 2.523 0.635 0.00 0.00 -0.461 OA BRANCH 17 19 ATOM 18 C LIG 1 0.292 4.540 -0.534 0.00 0.00 +0.048 C ATOM 19 C LIG 1 0.011 3.892 0.809 0.00 0.00 +0.229 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 O LIG 1 1.762 -2.276 -0.654 0.00 0.00 -0.505 OA ATOM 21 H LIG 1 2.006 -3.153 -0.314 0.00 0.00 +0.292 HD ENDBRANCH 4 20 BRANCH 3 22 ATOM 22 C LIG 1 1.067 0.416 -0.511 0.00 0.00 +0.117 C ATOM 23 N LIG 1 2.265 0.360 -0.032 0.00 0.00 -0.290 NA BRANCH 23 24 ATOM 24 C LIG 1 3.125 1.479 -0.440 0.00 0.00 +0.152 C BRANCH 24 25 ATOM 25 C LIG 1 4.514 1.232 0.130 0.00 0.00 +0.143 C BRANCH 25 26 ATOM 26 C LIG 1 5.194 0.032 -0.482 0.00 0.00 +0.306 C ATOM 27 O LIG 1 6.372 0.026 -0.812 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 4.416 -1.069 -0.574 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 3.476 -0.879 -0.310 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 22 TORSDOF 9