REMARK Name = BDB009451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.374 -1.616 -2.456 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.547 -2.969 -2.177 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.502 -3.802 -2.119 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.819 -3.482 -1.949 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.931 -2.638 -2.012 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.778 -1.274 -2.308 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.490 -0.774 -2.551 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -6.071 0.531 -0.712 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -5.183 0.743 0.110 0.00 0.00 +0.247 C ATOM 10 N LIG 1 -3.825 0.803 -0.222 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -3.492 0.772 -1.654 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.302 -0.661 -2.167 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.992 -1.212 -1.802 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -0.961 -1.057 -2.736 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -1.093 -0.430 -3.786 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -1.750 -1.396 -0.368 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -1.479 -0.058 0.320 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -2.752 0.665 0.768 0.00 0.00 +0.109 C BRANCH 9 19 ATOM 19 C LIG 1 -5.592 0.939 1.516 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -5.215 2.084 2.215 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -5.651 2.207 3.521 0.00 0.00 +0.111 A ATOM 22 N LIG 1 -6.420 1.286 4.143 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 -6.797 0.206 3.423 0.00 0.00 +0.111 A ATOM 24 C LIG 1 -6.417 -0.011 2.113 0.00 0.00 +0.033 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 3.985 -0.367 -2.412 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 4.849 -0.371 -1.156 0.00 0.00 +0.087 A ATOM 27 C LIG 1 4.433 0.473 0.019 0.00 0.00 +0.059 A ATOM 28 N LIG 1 3.257 1.215 0.009 0.00 0.00 -0.342 N ATOM 29 H LIG 1 2.533 0.839 -0.597 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 2.746 1.800 1.244 0.00 0.00 +0.102 C ATOM 31 C LIG 1 3.908 2.365 2.056 0.00 0.00 +0.023 C ATOM 32 C LIG 1 4.984 1.298 2.299 0.00 0.00 +0.044 C ATOM 33 C LIG 1 5.264 0.474 1.073 0.00 0.00 +0.041 A ATOM 34 C LIG 1 6.486 -0.361 1.066 0.00 0.00 +0.270 A ATOM 35 O LIG 1 7.251 -0.391 2.024 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 6.699 -1.105 -0.064 0.00 0.00 -0.243 N ATOM 37 H LIG 1 7.537 -1.678 -0.090 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 5.915 -1.117 -1.176 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4