REMARK Name = BDB035785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.324 0.736 1.102 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.937 1.076 1.606 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.291 1.990 2.328 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.887 0.081 1.094 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.249 -0.010 1.316 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.945 -1.072 0.722 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.246 -1.994 -0.095 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.859 -1.882 -0.319 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.195 -0.826 0.300 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.251 -0.454 0.264 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.980 1.631 0.989 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.746 0.992 0.749 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.549 1.413 1.361 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.615 2.510 2.224 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.824 3.163 2.474 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.995 2.728 1.862 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.296 1.212 0.334 0.00 0.00 +0.092 C BRANCH 17 18 ATOM 18 C LIG 1 -5.374 -0.242 -0.201 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -5.181 -1.283 0.916 0.00 0.00 +0.170 C ATOM 20 S LIG 1 -5.739 -2.825 0.218 0.00 0.00 -0.031 S ATOM 21 O LIG 1 -4.593 -3.486 -0.371 0.00 0.00 -0.174 OA ATOM 22 O LIG 1 -6.612 -3.478 1.168 0.00 0.00 -0.174 OA ATOM 23 C LIG 1 -6.716 -2.111 -1.092 0.00 0.00 +0.166 C ATOM 24 C LIG 1 -6.749 -0.612 -0.807 0.00 0.00 +0.029 C ENDBRANCH 17 18 BRANCH 17 27 ATOM 25 C LIG 1 -3.684 2.527 -2.120 0.00 0.00 +0.151 C ATOM 26 N LIG 1 -5.054 2.746 -1.744 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -5.768 2.204 -0.703 0.00 0.00 +0.141 A ATOM 28 N LIG 1 -6.999 2.680 -0.758 0.00 0.00 -0.134 NA ATOM 29 N LIG 1 -7.090 3.535 -1.825 0.00 0.00 -0.138 NA ATOM 30 C LIG 1 -5.915 3.571 -2.404 0.00 0.00 +0.224 A ENDBRANCH 17 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 1.118 -2.879 -1.169 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.248 -2.279 -2.029 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.372 -3.734 -0.421 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.932 -3.651 -1.938 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.440 -1.205 0.923 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.153 -0.306 0.017 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.777 -0.426 -0.922 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.614 -0.469 0.105 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.236 0.320 -1.087 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.115 -0.918 -1.363 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.051 -1.765 -0.634 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.216 -0.157 1.464 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8