REMARK Name = BDB061135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.223 -0.177 -0.011 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -0.466 -1.548 -0.290 0.00 0.00 +0.051 A ATOM 3 C LIG 1 0.634 -2.396 -0.442 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.940 -1.910 -0.317 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.170 -0.557 -0.032 0.00 0.00 +0.069 A ATOM 6 C LIG 1 1.081 0.310 0.121 0.00 0.00 +0.053 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.801 -1.988 -0.377 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -2.195 -2.789 -1.555 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -2.142 -4.319 -1.332 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -2.783 -4.757 -0.075 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -2.631 -6.199 0.109 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.194 -4.018 1.061 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.351 -2.491 0.904 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 N LIG 1 3.502 -0.086 0.095 0.00 0.00 -0.219 N ATOM 15 N LIG 1 4.567 -0.912 -0.061 0.00 0.00 -0.060 NA ATOM 16 N LIG 1 5.675 -0.209 0.119 0.00 0.00 -0.124 NA ATOM 17 C LIG 1 5.330 1.093 0.372 0.00 0.00 +0.167 A ATOM 18 C LIG 1 3.951 1.181 0.373 0.00 0.00 +0.149 A BRANCH 17 19 ATOM 19 C LIG 1 6.256 2.194 0.653 0.00 0.00 +0.268 C ATOM 20 N LIG 1 7.620 2.037 0.380 0.00 0.00 -0.302 N ATOM 21 C LIG 1 8.553 3.039 0.865 0.00 0.00 +0.132 C ATOM 22 C LIG 1 8.203 0.898 -0.312 0.00 0.00 +0.132 C ATOM 23 O LIG 1 5.821 3.243 1.133 0.00 0.00 -0.268 OA ENDBRANCH 17 19 ENDBRANCH 5 14 BRANCH 1 25 ATOM 24 C LIG 1 -1.450 1.990 0.323 0.00 0.00 +0.250 C ATOM 25 N LIG 1 -1.373 0.637 0.093 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -2.228 0.104 -0.054 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 -0.516 2.768 0.474 0.00 0.00 -0.270 OA BRANCH 24 32 ATOM 28 C LIG 1 -6.311 2.206 1.843 0.00 0.00 +0.048 C ATOM 29 C LIG 1 -5.151 2.662 1.003 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.879 2.067 1.091 0.00 0.00 +0.059 A ATOM 31 CL LIG 1 -3.624 0.782 2.228 0.00 0.00 -0.082 Cl ATOM 32 C LIG 1 -2.824 2.550 0.297 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -3.027 3.642 -0.564 0.00 0.00 +0.040 A ATOM 34 C LIG 1 -4.289 4.215 -0.698 0.00 0.00 +0.061 A ATOM 35 C LIG 1 -5.324 3.737 0.120 0.00 0.00 +0.148 A ATOM 36 F LIG 1 -6.527 4.332 0.036 0.00 0.00 -0.203 F BRANCH 34 37 ATOM 37 N LIG 1 -4.458 5.374 -1.467 0.00 0.00 -0.356 N ATOM 38 H LIG 1 -3.833 5.462 -2.262 0.00 0.00 +0.142 HD ATOM 39 H LIG 1 -5.431 5.569 -1.696 0.00 0.00 +0.142 HD ENDBRANCH 34 37 ENDBRANCH 24 32 ENDBRANCH 1 25 TORSDOF 6