REMARK Name = BDB027497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.453 -0.881 -0.840 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.302 -1.343 -0.186 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.450 -2.493 0.592 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.606 -3.177 0.764 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.707 -2.727 0.121 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.661 -1.585 -0.679 0.00 0.00 +0.035 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 0.918 -0.666 -0.344 0.00 0.00 -0.327 N ATOM 8 C LIG 1 1.453 -0.099 0.921 0.00 0.00 +0.129 C ATOM 9 C LIG 1 2.901 0.442 0.729 0.00 0.00 +0.059 C ATOM 10 N LIG 1 2.975 1.383 -0.428 0.00 0.00 -0.305 NA ATOM 11 H LIG 1 2.044 1.494 -0.839 0.00 0.00 +0.123 HD ATOM 12 C LIG 1 3.518 2.688 -0.039 0.00 0.00 +0.109 C ATOM 13 C LIG 1 4.795 2.537 0.803 0.00 0.00 +0.175 C ATOM 14 O LIG 1 4.648 1.710 1.966 0.00 0.00 -0.377 OA ATOM 15 C LIG 1 3.357 1.103 2.060 0.00 0.00 +0.183 C ATOM 16 C LIG 1 3.818 -0.757 0.378 0.00 0.00 +0.027 C ATOM 17 C LIG 1 3.100 -1.875 -0.391 0.00 0.00 +0.021 C ATOM 18 C LIG 1 1.894 -1.390 -1.190 0.00 0.00 +0.105 C ENDBRANCH 2 7 BRANCH 5 19 ATOM 19 C LIG 1 -3.939 -3.515 0.337 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -4.933 -3.636 -0.651 0.00 0.00 +0.051 A ATOM 21 C LIG 1 -6.084 -4.387 -0.417 0.00 0.00 +0.159 A ATOM 22 F LIG 1 -7.011 -4.479 -1.381 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -6.272 -5.036 0.795 0.00 0.00 +0.158 A ATOM 24 F LIG 1 -7.381 -5.755 1.014 0.00 0.00 -0.202 F ATOM 25 C LIG 1 -5.309 -4.945 1.789 0.00 0.00 +0.042 A ATOM 26 C LIG 1 -4.152 -4.193 1.558 0.00 0.00 +0.013 A ENDBRANCH 5 19 BRANCH 1 27 ATOM 27 C LIG 1 -1.423 0.355 -1.708 0.00 0.00 +0.161 C BRANCH 27 32 ATOM 28 C LIG 1 0.136 4.752 -0.424 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -0.607 3.566 -0.304 0.00 0.00 +0.147 A ATOM 30 N LIG 1 -1.501 3.119 0.646 0.00 0.00 -0.231 NA ATOM 31 C LIG 1 -1.878 1.931 0.218 0.00 0.00 +0.202 A ATOM 32 N LIG 1 -1.251 1.583 -0.950 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -0.457 2.635 -1.318 0.00 0.00 +0.166 A ATOM 34 N LIG 1 0.311 2.746 -2.415 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 0.958 3.928 -2.433 0.00 0.00 +0.225 A ATOM 36 N LIG 1 0.916 4.920 -1.516 0.00 0.00 -0.219 NA BRANCH 28 37 ATOM 37 N LIG 1 0.102 5.771 0.520 0.00 0.00 -0.341 N ATOM 38 H LIG 1 0.366 6.663 0.123 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -0.728 5.745 1.103 0.00 0.00 +0.144 HD ENDBRANCH 28 37 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 5