REMARK Name = BDB016071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.004 -2.443 -0.120 0.00 0.00 +0.130 A ATOM 2 C LIG 1 0.377 -3.643 -0.728 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.702 -3.717 -1.124 0.00 0.00 +0.125 A ATOM 4 N LIG 1 2.603 -2.728 -0.968 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 2.148 -1.603 -0.395 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.883 -1.434 0.037 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.532 -4.748 -0.965 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.215 -6.083 -0.810 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -1.344 -6.783 -1.128 0.00 0.00 -0.274 N ATOM 10 C LIG 1 -1.512 -8.216 -1.117 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -2.378 -5.998 -1.477 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -1.881 -4.762 -1.388 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 3.078 -0.467 -0.238 0.00 0.00 +0.020 A ATOM 14 C LIG 1 2.663 0.740 0.364 0.00 0.00 +0.020 A ATOM 15 C LIG 1 3.523 1.840 0.507 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.834 1.737 0.035 0.00 0.00 +0.008 A ATOM 17 C LIG 1 5.276 0.555 -0.560 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.407 -0.531 -0.694 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 3.060 3.071 1.122 0.00 0.00 +0.020 A ATOM 20 C LIG 1 2.159 3.150 2.164 0.00 0.00 +0.116 A ATOM 21 N LIG 1 2.018 4.477 2.449 0.00 0.00 -0.274 N ATOM 22 C LIG 1 1.190 5.063 3.474 0.00 0.00 +0.172 C ATOM 23 N LIG 1 2.756 5.277 1.660 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 3.395 4.420 0.858 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 -1.327 -2.241 0.308 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -1.607 -3.049 0.863 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.603 -0.989 1.019 0.00 0.00 +0.109 C BRANCH 27 34 ATOM 28 C LIG 1 -2.171 4.868 -1.638 0.00 0.00 +0.109 C ATOM 29 C LIG 1 -2.610 3.529 -2.169 0.00 0.00 +0.213 C ATOM 30 N LIG 1 -2.699 2.480 -1.265 0.00 0.00 -0.299 N ATOM 31 C LIG 1 -3.192 1.194 -1.772 0.00 0.00 +0.145 C ATOM 32 C LIG 1 -3.073 0.050 -0.762 0.00 0.00 +0.188 C ATOM 33 F LIG 1 -4.134 0.112 0.099 0.00 0.00 -0.244 F ATOM 34 C LIG 1 -1.788 0.189 0.052 0.00 0.00 +0.043 C ATOM 35 C LIG 1 -1.775 1.525 0.823 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -2.636 2.618 0.185 0.00 0.00 +0.108 C ATOM 37 O LIG 1 -2.865 3.388 -3.366 0.00 0.00 -0.276 OA ENDBRANCH 27 34 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 6