REMARK Name = BDB035737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.566 -0.753 -0.770 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.610 -1.042 -1.470 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.797 -1.343 -2.634 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.716 -0.935 -0.508 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.068 -1.127 -0.723 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.942 -0.959 0.362 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.411 -0.626 1.632 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.029 -0.436 1.835 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.194 -0.595 0.733 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.291 -0.456 0.630 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.308 -0.341 -0.963 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -2.986 -0.445 -0.474 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.883 -0.703 -1.308 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.132 -0.899 -2.668 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.430 -0.839 -3.177 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.506 -0.568 -2.335 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.492 -0.073 -0.011 0.00 0.00 +0.150 C BRANCH 17 18 ATOM 18 C LIG 1 -5.275 1.099 0.944 0.00 0.00 +0.169 A ATOM 19 N LIG 1 -6.270 1.835 1.554 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -7.699 1.714 1.422 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.642 2.754 2.340 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -4.345 2.605 2.243 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -4.116 1.572 1.373 0.00 0.00 -0.131 NA ENDBRANCH 17 18 BRANCH 17 25 ATOM 24 C LIG 1 -6.287 -2.537 -0.030 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -5.821 -1.349 0.807 0.00 0.00 +0.044 C ENDBRANCH 17 25 BRANCH 17 26 ATOM 26 O LIG 1 -6.644 0.289 -0.788 0.00 0.00 -0.376 OA ATOM 27 H LIG 1 -6.343 1.003 -1.381 0.00 0.00 +0.211 HD ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.476 -0.060 3.184 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.446 -0.866 3.565 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.988 1.209 3.207 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.394 -0.130 4.187 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.432 -1.176 0.195 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.981 -0.520 -0.995 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 6.639 -1.160 -1.438 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.537 0.823 -0.728 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.238 1.290 -2.039 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.556 0.686 -1.518 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.953 0.701 -0.100 0.00 0.00 +0.022 C ATOM 39 C LIG 1 5.569 1.831 -0.145 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9