REMARK Name = BDB050529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.090 -0.460 -1.891 0.00 0.00 -0.283 N ATOM 2 C LIG 1 1.197 -0.413 -1.288 0.00 0.00 +0.039 A ATOM 3 C LIG 1 2.337 -0.063 -2.035 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.598 0.005 -1.416 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.758 -0.269 -0.050 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.643 -0.654 0.708 0.00 0.00 +0.064 A ATOM 7 C LIG 1 2.259 0.185 -3.521 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.827 0.339 -4.007 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.382 -0.717 0.073 0.00 0.00 +0.036 A ATOM 10 C LIG 1 -0.055 -0.707 -3.340 0.00 0.00 +0.113 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -1.212 4.327 0.693 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -2.230 3.495 1.432 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -2.319 2.151 1.093 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -1.284 1.472 0.287 0.00 0.00 +0.148 C ATOM 15 C LIG 1 -1.818 0.203 -0.276 0.00 0.00 +0.033 A ATOM 16 C LIG 1 -1.286 -0.660 -1.267 0.00 0.00 +0.152 A ATOM 17 N LIG 1 -2.159 -1.629 -1.562 0.00 0.00 -0.155 NA ATOM 18 N LIG 1 -3.203 -1.445 -0.726 0.00 0.00 -0.261 N ATOM 19 C LIG 1 -3.034 -0.350 0.071 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -3.962 0.243 1.067 0.00 0.00 +0.074 C ATOM 21 C LIG 1 -3.202 1.293 1.905 0.00 0.00 +0.114 C ATOM 22 O LIG 1 -2.948 4.018 2.286 0.00 0.00 -0.276 OA BRANCH 18 23 ATOM 23 C LIG 1 -4.322 -2.359 -0.842 0.00 0.00 +0.135 C ATOM 24 C LIG 1 -5.584 -1.715 -1.394 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -6.686 -2.248 -0.646 0.00 0.00 -0.378 OA ATOM 26 C LIG 1 -6.187 -2.604 0.644 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -4.754 -3.047 0.442 0.00 0.00 +0.057 C ENDBRANCH 18 23 ENDBRANCH 1 16 BRANCH 5 28 ATOM 28 C LIG 1 5.089 -0.162 0.509 0.00 0.00 +0.020 A ATOM 29 C LIG 1 5.459 0.723 1.498 0.00 0.00 +0.116 A ATOM 30 N LIG 1 6.794 0.520 1.705 0.00 0.00 -0.274 N ATOM 31 C LIG 1 7.636 1.193 2.664 0.00 0.00 +0.172 C ATOM 32 N LIG 1 7.328 -0.408 0.890 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 6.288 -0.823 0.163 0.00 0.00 +0.142 A ENDBRANCH 5 28 BRANCH 6 34 ATOM 34 C LIG 1 2.741 -1.008 2.172 0.00 0.00 +0.418 C ATOM 35 F LIG 1 1.602 -1.586 2.659 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.736 -1.891 2.460 0.00 0.00 -0.166 F ATOM 37 F LIG 1 2.947 0.081 2.965 0.00 0.00 -0.166 F ENDBRANCH 6 34 TORSDOF 4