REMARK Name = BDB032686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.331 0.794 1.001 0.00 0.00 +0.405 C ATOM 2 N LIG 1 -1.880 -0.441 1.199 0.00 0.00 -0.251 N ATOM 3 H LIG 1 -1.201 -1.144 1.456 0.00 0.00 +0.158 HD ATOM 4 O LIG 1 -1.894 1.827 0.672 0.00 0.00 -0.226 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -3.224 -0.832 1.076 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -3.527 -2.177 1.315 0.00 0.00 +0.069 A ATOM 7 C LIG 1 -4.838 -2.656 1.212 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -5.860 -1.773 0.866 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.579 -0.419 0.616 0.00 0.00 -0.028 A ATOM 10 C LIG 1 -4.256 0.040 0.731 0.00 0.00 +0.028 A BRANCH 7 11 ATOM 11 O LIG 1 -4.972 -3.990 1.473 0.00 0.00 -0.406 OA BRANCH 11 12 ATOM 12 C LIG 1 -6.266 -4.559 1.366 0.00 0.00 +0.575 C ATOM 13 F LIG 1 -7.119 -3.998 2.250 0.00 0.00 -0.133 F ATOM 14 F LIG 1 -6.182 -5.879 1.644 0.00 0.00 -0.133 F ATOM 15 F LIG 1 -6.757 -4.424 0.116 0.00 0.00 -0.133 F ENDBRANCH 11 12 ENDBRANCH 7 11 BRANCH 9 16 ATOM 16 C LIG 1 -6.689 0.538 0.229 0.00 0.00 +0.120 C BRANCH 16 17 ATOM 17 N LIG 1 -6.970 0.691 -1.202 0.00 0.00 -0.294 NA ATOM 18 C LIG 1 -5.859 1.273 -1.973 0.00 0.00 +0.113 C ATOM 19 C LIG 1 -6.277 1.513 -3.434 0.00 0.00 +0.175 C ATOM 20 O LIG 1 -6.722 0.299 -4.055 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -7.825 -0.253 -3.324 0.00 0.00 +0.175 C ATOM 22 C LIG 1 -7.441 -0.536 -1.862 0.00 0.00 +0.113 C ENDBRANCH 16 17 ENDBRANCH 9 16 ENDBRANCH 2 5 BRANCH 1 23 ATOM 23 O LIG 1 0.003 0.701 1.236 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 0.708 1.930 1.052 0.00 0.00 +0.269 C BRANCH 24 32 ATOM 25 N LIG 1 6.560 0.373 0.804 0.00 0.00 -0.282 N ATOM 26 C LIG 1 5.475 0.524 -0.047 0.00 0.00 +0.248 C ATOM 27 O LIG 1 5.422 0.335 -1.247 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 4.353 0.990 0.774 0.00 0.00 +0.042 A ATOM 29 C LIG 1 4.818 1.187 2.071 0.00 0.00 -0.018 A ATOM 30 C LIG 1 3.958 1.629 3.060 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.622 1.869 2.714 0.00 0.00 +0.007 A ATOM 32 C LIG 1 2.156 1.681 1.390 0.00 0.00 -0.010 A ATOM 33 C LIG 1 3.042 1.224 0.403 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.274 0.875 2.141 0.00 0.00 +0.144 C BRANCH 25 41 ATOM 35 O LIG 1 11.135 0.061 -2.253 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 10.136 0.067 -1.539 0.00 0.00 +0.219 C ATOM 37 N LIG 1 9.556 1.247 -1.146 0.00 0.00 -0.255 N ATOM 38 H LIG 1 9.980 2.091 -1.506 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 8.541 1.428 -0.234 0.00 0.00 +0.240 C ATOM 40 O LIG 1 8.242 2.560 0.145 0.00 0.00 -0.273 OA ATOM 41 C LIG 1 7.931 0.147 0.356 0.00 0.00 +0.163 C ATOM 42 C LIG 1 8.075 -1.018 -0.623 0.00 0.00 +0.041 C ATOM 43 C LIG 1 9.543 -1.202 -0.973 0.00 0.00 +0.098 C ENDBRANCH 25 41 ENDBRANCH 24 32 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 9