REMARK Name = BDB017716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.007 -1.074 -1.720 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.414 -0.711 -1.293 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -2.128 -1.525 -0.402 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -3.434 -1.191 -0.026 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -4.073 -0.050 -0.532 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -5.460 0.234 -0.099 0.00 0.00 +0.048 A ATOM 7 N LIG 1 -6.124 1.341 -0.609 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -5.521 2.040 -1.042 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -7.342 1.846 0.001 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -8.233 0.667 0.376 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -7.478 -0.342 1.251 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -6.067 -0.587 0.781 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -5.371 -1.780 1.333 0.00 0.00 +0.254 A ATOM 14 O LIG 1 -5.903 -2.522 2.153 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.346 0.751 -1.421 0.00 0.00 +0.135 A ATOM 16 F LIG 1 -3.881 1.873 -1.930 0.00 0.00 -0.205 F ATOM 17 N LIG 1 -4.103 -2.016 0.884 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -3.647 -2.833 1.268 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -2.041 0.430 -1.804 0.00 0.00 +0.044 A ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 N LIG 1 3.701 -0.481 -0.008 0.00 0.00 -0.327 N ATOM 21 C LIG 1 3.324 -1.900 -0.125 0.00 0.00 +0.120 C ATOM 22 C LIG 1 2.101 -2.057 -1.057 0.00 0.00 +0.103 C ATOM 23 N LIG 1 0.884 -1.358 -0.586 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 1.233 -0.147 0.190 0.00 0.00 +0.103 C ATOM 25 C LIG 1 2.603 0.495 -0.136 0.00 0.00 +0.120 C BRANCH 20 29 ATOM 26 C LIG 1 7.618 0.729 1.058 0.00 0.00 +0.064 A ATOM 27 C LIG 1 6.739 1.645 0.466 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.438 1.219 0.120 0.00 0.00 +0.036 A ATOM 29 C LIG 1 4.979 -0.090 0.346 0.00 0.00 +0.030 A ATOM 30 C LIG 1 5.892 -0.975 0.937 0.00 0.00 +0.024 A ATOM 31 C LIG 1 7.188 -0.579 1.291 0.00 0.00 +0.021 A BRANCH 27 32 ATOM 32 C LIG 1 7.166 3.064 0.189 0.00 0.00 +0.419 C ATOM 33 F LIG 1 7.528 3.729 1.319 0.00 0.00 -0.166 F ATOM 34 F LIG 1 6.189 3.821 -0.384 0.00 0.00 -0.166 F ATOM 35 F LIG 1 8.228 3.134 -0.657 0.00 0.00 -0.166 F ENDBRANCH 27 32 BRANCH 26 37 ATOM 36 N LIG 1 10.036 1.384 1.740 0.00 0.00 -0.191 NA ATOM 37 C LIG 1 8.955 1.095 1.434 0.00 0.00 +0.100 C ENDBRANCH 26 37 ENDBRANCH 20 29 ENDBRANCH 1 23 TORSDOF 5