REMARK Name = BDB019853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.860 2.769 0.502 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.263 2.088 0.983 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.733 0.958 0.307 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.103 0.532 -0.867 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.033 1.196 -1.355 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.506 2.319 -0.659 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -1.948 5.992 1.636 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -2.231 5.342 2.778 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -1.874 4.062 2.536 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -1.366 3.925 1.211 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -1.439 5.186 0.662 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -2.027 2.963 3.554 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -0.822 2.524 4.011 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -2.747 3.330 4.649 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.658 1.875 3.031 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -3.633 7.733 1.191 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -2.189 7.419 1.542 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.918 0.239 0.844 0.00 0.00 +0.245 C ATOM 19 N LIG 1 1.929 -1.124 0.651 0.00 0.00 -0.304 N ATOM 20 H LIG 1 1.142 -1.587 0.218 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 2.797 0.859 1.430 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.077 -1.932 1.000 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 4.076 -1.981 -0.146 0.00 0.00 -0.024 A ATOM 24 C LIG 1 3.690 -2.345 -1.449 0.00 0.00 +0.046 A ATOM 25 C LIG 1 4.630 -2.373 -2.475 0.00 0.00 +0.159 A ATOM 26 F LIG 1 4.242 -2.719 -3.711 0.00 0.00 -0.202 F ATOM 27 C LIG 1 5.956 -2.046 -2.226 0.00 0.00 +0.158 A ATOM 28 F LIG 1 6.857 -2.074 -3.217 0.00 0.00 -0.202 F ATOM 29 C LIG 1 6.361 -1.684 -0.947 0.00 0.00 +0.041 A ATOM 30 C LIG 1 5.424 -1.651 0.090 0.00 0.00 +0.008 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 2.608 -3.325 1.343 0.00 0.00 +0.014 C ATOM 32 C LIG 1 2.006 -3.608 2.699 0.00 0.00 +0.006 C ATOM 33 C LIG 1 3.359 -4.163 2.350 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 34 ATOM 34 C LIG 1 -1.749 0.684 -2.587 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -2.385 -0.594 -2.325 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -1.776 -1.854 -2.481 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -0.642 -2.151 -3.013 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -0.212 -1.319 -3.412 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -2.682 -2.738 -1.882 0.00 0.00 -0.314 N ATOM 40 C LIG 1 -3.725 -2.045 -1.301 0.00 0.00 +0.107 A ATOM 41 C LIG 1 -3.559 -0.745 -1.583 0.00 0.00 +0.107 A BRANCH 39 42 ATOM 42 C LIG 1 -2.328 -4.096 -1.499 0.00 0.00 +0.090 C ATOM 43 C LIG 1 -3.301 -5.239 -1.627 0.00 0.00 +0.027 C ATOM 44 C LIG 1 -2.108 -5.168 -2.533 0.00 0.00 +0.027 C ENDBRANCH 39 42 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 10