REMARK Name = BDB010103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.452 -1.151 2.141 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.843 -1.385 1.616 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.768 -2.102 2.384 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.420 -2.574 3.652 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -0.141 -2.335 4.178 0.00 0.00 +0.057 A ATOM 6 C LIG 1 0.794 -1.624 3.408 0.00 0.00 +0.037 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.136 -0.886 0.317 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -2.255 0.085 0.315 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -2.470 0.635 -1.116 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -2.666 -0.395 -2.160 0.00 0.00 -0.294 NA ATOM 11 C LIG 1 -1.564 -1.381 -2.076 0.00 0.00 +0.103 C ATOM 12 C LIG 1 -1.327 -1.978 -0.667 0.00 0.00 +0.120 C BRANCH 10 13 ATOM 13 C LIG 1 -3.982 -1.065 -2.084 0.00 0.00 +0.140 C BRANCH 13 14 ATOM 14 C LIG 1 -5.168 -0.175 -2.424 0.00 0.00 +0.055 A ATOM 15 N LIG 1 -5.402 0.087 -3.735 0.00 0.00 -0.259 NA ATOM 16 C LIG 1 -6.453 0.879 -4.037 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -7.302 1.426 -3.091 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -7.058 1.146 -1.752 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -5.979 0.336 -1.409 0.00 0.00 +0.024 A ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 2 7 BRANCH 1 22 ATOM 20 O LIG 1 3.275 -0.347 2.506 0.00 0.00 -0.266 OA ATOM 21 C LIG 1 2.633 -0.065 1.498 0.00 0.00 +0.284 C ATOM 22 N LIG 1 1.317 -0.427 1.296 0.00 0.00 -0.277 N ATOM 23 H LIG 1 0.859 -0.175 0.426 0.00 0.00 +0.155 HD BRANCH 21 24 ATOM 24 C LIG 1 3.211 0.688 0.392 0.00 0.00 +0.190 A ATOM 25 O LIG 1 4.532 1.040 0.486 0.00 0.00 -0.450 OA ATOM 26 C LIG 1 4.877 1.730 -0.639 0.00 0.00 +0.136 A ATOM 27 C LIG 1 3.776 1.830 -1.465 0.00 0.00 +0.050 A ATOM 28 C LIG 1 2.710 1.165 -0.807 0.00 0.00 +0.055 A BRANCH 26 29 ATOM 29 C LIG 1 6.263 2.185 -0.715 0.00 0.00 +0.020 A ATOM 30 C LIG 1 7.177 1.897 0.303 0.00 0.00 +0.031 A ATOM 31 C LIG 1 8.481 2.350 0.183 0.00 0.00 +0.111 A ATOM 32 N LIG 1 8.933 3.062 -0.870 0.00 0.00 -0.263 NA ATOM 33 C LIG 1 8.040 3.333 -1.843 0.00 0.00 +0.111 A ATOM 34 C LIG 1 6.716 2.923 -1.812 0.00 0.00 +0.031 A ENDBRANCH 26 29 ENDBRANCH 21 24 ENDBRANCH 1 22 BRANCH 5 35 ATOM 35 C LIG 1 0.247 -2.856 5.541 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -0.826 -3.234 6.294 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.051 -3.952 5.468 0.00 0.00 -0.166 F ATOM 38 F LIG 1 0.918 -1.940 6.291 0.00 0.00 -0.166 F ENDBRANCH 5 35 TORSDOF 7