REMARK Name = BDB054067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.119 -0.645 0.157 0.00 0.00 -0.241 N ATOM 2 C LIG 1 2.110 -2.039 -0.087 0.00 0.00 +0.077 A ATOM 3 C LIG 1 1.018 -2.321 -0.915 0.00 0.00 +0.071 A ATOM 4 C LIG 1 0.729 -3.601 -1.355 0.00 0.00 +0.040 A ATOM 5 C LIG 1 1.566 -4.649 -0.940 0.00 0.00 +0.057 A ATOM 6 C LIG 1 2.679 -4.364 -0.116 0.00 0.00 +0.014 A ATOM 7 N LIG 1 0.351 -1.121 -1.182 0.00 0.00 -0.287 N ATOM 8 C LIG 1 2.957 -3.059 0.313 0.00 0.00 +0.029 A ATOM 9 C LIG 1 1.007 -0.067 -0.503 0.00 0.00 +0.336 A ATOM 10 O LIG 1 0.610 1.087 -0.498 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 3.005 5.148 0.333 0.00 0.00 +0.044 C ATOM 12 C LIG 1 3.422 3.861 0.987 0.00 0.00 -0.050 A ATOM 13 C LIG 1 2.891 2.639 0.522 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.285 1.421 1.119 0.00 0.00 +0.066 A ATOM 15 C LIG 1 4.239 1.501 2.122 0.00 0.00 +0.169 A ATOM 16 O LIG 1 4.546 0.257 2.550 0.00 0.00 -0.353 OA ATOM 17 N LIG 1 3.819 -0.666 1.844 0.00 0.00 -0.059 NA ATOM 18 C LIG 1 4.805 2.679 2.605 0.00 0.00 +0.050 A ATOM 19 C LIG 1 3.024 0.009 0.992 0.00 0.00 +0.192 A ATOM 20 C LIG 1 4.373 3.867 2.013 0.00 0.00 +0.007 A ENDBRANCH 1 19 BRANCH 5 21 ATOM 21 C LIG 1 1.303 -6.061 -1.407 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -0.023 -6.314 -1.593 0.00 0.00 -0.166 F ATOM 23 F LIG 1 1.744 -7.007 -0.534 0.00 0.00 -0.166 F ATOM 24 F LIG 1 1.906 -6.331 -2.596 0.00 0.00 -0.166 F ENDBRANCH 5 21 BRANCH 7 25 ATOM 25 C LIG 1 -0.878 -0.964 -1.917 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 C LIG 1 -2.094 -1.014 -1.018 0.00 0.00 -0.024 A ATOM 27 C LIG 1 -2.559 0.159 -0.398 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -3.663 0.121 0.459 0.00 0.00 +0.140 A ATOM 29 C LIG 1 -4.282 -1.103 0.737 0.00 0.00 +0.083 A ATOM 30 CL LIG 1 -5.623 -1.202 1.821 0.00 0.00 -0.080 Cl ATOM 31 C LIG 1 -3.831 -2.272 0.125 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -2.744 -2.228 -0.751 0.00 0.00 +0.007 A BRANCH 28 33 ATOM 33 O LIG 1 -4.095 1.251 1.100 0.00 0.00 -0.476 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.681 2.272 0.272 0.00 0.00 +0.278 C ATOM 35 C LIG 1 -5.517 1.780 -0.909 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 -3.649 3.324 -0.143 0.00 0.00 +0.346 C ATOM 37 O LIG 1 -3.747 4.058 -1.115 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.604 3.397 0.720 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -2.670 2.704 1.412 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 8