REMARK Name = BDB019618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.081 0.343 -1.503 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.822 1.193 -2.336 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.833 2.011 -1.811 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.096 1.958 -0.432 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.374 1.103 0.416 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.368 0.292 -0.132 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.634 2.872 -2.689 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -2.400 4.261 -2.816 0.00 0.00 +0.065 A ATOM 9 C LIG 1 -3.237 5.024 -3.656 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -4.275 4.419 -4.355 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -5.058 5.161 -5.147 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.505 3.057 -4.251 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.688 2.288 -3.421 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -1.273 4.945 -2.080 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -1.412 4.896 -0.727 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -0.053 4.413 -2.361 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -1.168 6.273 -2.380 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 1.954 -0.976 -1.294 0.00 0.00 -0.306 N ATOM 19 H LIG 1 2.108 -0.566 -0.381 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.956 -0.529 -2.123 0.00 0.00 +0.244 C ATOM 21 O LIG 1 0.903 -0.806 -3.317 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.040 -1.797 -1.783 0.00 0.00 +0.160 C BRANCH 22 25 ATOM 23 C LIG 1 5.416 -3.910 0.281 0.00 0.00 +0.123 A ATOM 24 C LIG 1 4.631 -3.469 -0.781 0.00 0.00 +0.070 A ATOM 25 C LIG 1 3.896 -2.297 -0.640 0.00 0.00 +0.062 A ATOM 26 N LIG 1 3.933 -1.545 0.495 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 4.711 -1.994 1.502 0.00 0.00 +0.114 A ATOM 28 C LIG 1 5.461 -3.159 1.446 0.00 0.00 +0.065 A BRANCH 23 30 ATOM 29 C LIG 1 6.922 -5.558 1.101 0.00 0.00 +0.277 C ATOM 30 O LIG 1 6.079 -5.085 0.057 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 31 ATOM 31 C LIG 1 -1.704 1.020 1.888 0.00 0.00 +0.139 C BRANCH 31 32 ATOM 32 N LIG 1 -2.305 -0.267 2.171 0.00 0.00 -0.313 N ATOM 33 H LIG 1 -2.951 -0.563 1.443 0.00 0.00 +0.149 HD BRANCH 32 34 ATOM 34 C LIG 1 -2.823 -0.574 3.377 0.00 0.00 +0.176 C ATOM 35 N LIG 1 -2.150 -0.171 4.485 0.00 0.00 -0.316 N ATOM 36 H LIG 1 -1.146 -0.272 4.401 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 -2.741 -0.873 5.608 0.00 0.00 +0.127 C ATOM 38 C LIG 1 -4.073 -1.340 5.013 0.00 0.00 +0.163 C ATOM 39 N LIG 1 -3.913 -1.267 3.534 0.00 0.00 -0.255 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9