REMARK Name = BDB018130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.598 -1.400 1.017 0.00 0.00 +0.201 C ATOM 2 C LIG 1 -0.940 -2.017 -0.342 0.00 0.00 +0.220 C ATOM 3 C LIG 1 -2.285 -2.673 -0.030 0.00 0.00 +0.207 C ATOM 4 C LIG 1 -2.885 -1.809 1.096 0.00 0.00 +0.253 C ATOM 5 O LIG 1 -1.828 -0.977 1.613 0.00 0.00 -0.344 OA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -4.051 -1.024 0.691 0.00 0.00 -0.303 N ATOM 7 C LIG 1 -4.198 0.344 0.658 0.00 0.00 +0.148 A ATOM 8 C LIG 1 -5.491 0.626 0.230 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -5.844 1.979 0.116 0.00 0.00 +0.129 A ATOM 10 N LIG 1 -4.932 2.921 0.418 0.00 0.00 -0.220 NA ATOM 11 C LIG 1 -3.717 2.514 0.829 0.00 0.00 +0.225 A ATOM 12 C LIG 1 -6.145 -0.617 0.021 0.00 0.00 +0.033 A ATOM 13 N LIG 1 -3.264 1.260 0.972 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -5.246 -1.614 0.322 0.00 0.00 +0.091 A BRANCH 9 15 ATOM 15 N LIG 1 -7.090 2.416 -0.313 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -7.560 1.788 -0.950 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -7.046 3.389 -0.590 0.00 0.00 +0.144 HD ENDBRANCH 9 15 ENDBRANCH 4 6 BRANCH 2 18 ATOM 18 C LIG 1 -1.092 -1.010 -1.490 0.00 0.00 +0.423 C ATOM 19 F LIG 1 0.098 -0.465 -1.827 0.00 0.00 -0.167 F ATOM 20 F LIG 1 -1.562 -1.628 -2.602 0.00 0.00 -0.167 F ATOM 21 F LIG 1 -1.936 -0.004 -1.212 0.00 0.00 -0.167 F ENDBRANCH 2 18 BRANCH 2 22 ATOM 22 O LIG 1 0.021 -3.055 -0.679 0.00 0.00 -0.376 OA ATOM 23 H LIG 1 0.882 -2.605 -0.820 0.00 0.00 +0.211 HD ENDBRANCH 2 22 BRANCH 3 24 ATOM 24 O LIG 1 -2.065 -4.011 0.473 0.00 0.00 -0.384 OA ATOM 25 H LIG 1 -1.263 -4.338 0.010 0.00 0.00 +0.210 HD ENDBRANCH 3 24 BRANCH 1 26 ATOM 26 C LIG 1 0.416 -0.259 1.011 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 O LIG 1 1.622 -0.744 0.421 0.00 0.00 -0.489 OA BRANCH 27 34 ATOM 28 C LIG 1 7.185 0.513 -1.104 0.00 0.00 +0.117 A ATOM 29 N LIG 1 6.074 -0.223 -0.946 0.00 0.00 -0.232 NA ATOM 30 C LIG 1 4.986 0.347 -0.399 0.00 0.00 +0.077 A ATOM 31 C LIG 1 4.968 1.692 0.017 0.00 0.00 +0.001 A ATOM 32 C LIG 1 3.807 2.241 0.584 0.00 0.00 +0.013 A ATOM 33 C LIG 1 2.659 1.461 0.741 0.00 0.00 +0.046 A ATOM 34 C LIG 1 2.668 0.131 0.332 0.00 0.00 +0.123 A ATOM 35 C LIG 1 6.135 2.442 -0.156 0.00 0.00 +0.013 A ATOM 36 C LIG 1 3.832 -0.405 -0.231 0.00 0.00 +0.074 A ATOM 37 C LIG 1 7.256 1.846 -0.724 0.00 0.00 +0.044 A BRANCH 28 38 ATOM 38 N LIG 1 8.299 -0.109 -1.678 0.00 0.00 -0.343 N ATOM 39 H LIG 1 9.081 -0.073 -1.032 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 8.563 0.379 -2.527 0.00 0.00 +0.144 HD ENDBRANCH 28 38 ENDBRANCH 27 34 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9