REMARK Name = BDB035990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.645 1.258 -0.572 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.171 1.742 0.672 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.820 1.620 1.052 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.958 1.007 0.148 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.508 0.733 0.259 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.828 0.069 -1.000 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.305 -0.056 -1.810 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.453 -0.537 -2.919 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.427 0.539 -1.073 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.750 0.649 -1.461 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.143 -0.375 -1.307 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.195 -0.174 -0.398 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.514 -0.592 -0.676 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.772 -1.244 -1.887 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.742 -1.455 -2.798 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.443 -1.022 -2.511 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.643 -0.360 0.322 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.681 1.062 0.812 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.133 2.132 0.080 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.650 2.125 -1.262 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.973 3.228 0.869 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.452 2.869 2.017 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.265 1.509 1.982 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.492 -1.354 1.481 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.704 -1.477 2.453 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -6.378 -2.980 2.555 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.732 -2.859 1.160 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.322 2.131 2.377 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.373 3.095 2.229 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.294 2.675 3.158 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.745 1.149 3.122 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.107 1.411 -0.942 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 6.751 -2.849 0.982 0.00 0.00 +0.015 C ATOM 34 C LIG 1 6.823 -1.324 1.052 0.00 0.00 +0.069 C ATOM 35 C LIG 1 8.251 -0.830 0.879 0.00 0.00 +0.254 C ATOM 36 F LIG 1 8.773 -1.319 -0.278 0.00 0.00 -0.205 F ATOM 37 F LIG 1 9.033 -1.308 1.881 0.00 0.00 -0.205 F ATOM 38 C LIG 1 8.339 0.680 0.855 0.00 0.00 +0.091 C ATOM 39 C LIG 1 7.395 1.240 -0.199 0.00 0.00 +0.090 C ATOM 40 N LIG 1 6.016 0.786 0.040 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 5.933 -0.686 -0.019 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7