REMARK Name = BDB035436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.356 -0.139 -0.396 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.721 -0.886 -0.872 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.781 -1.938 -1.481 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.936 -0.152 -0.489 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.257 -0.489 -0.725 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.251 0.379 -0.253 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.874 1.561 0.433 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.525 1.889 0.666 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.564 1.002 0.193 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.073 1.061 0.296 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.294 -1.929 -1.431 0.00 0.00 +0.217 A ATOM 12 N LIG 1 -2.004 -1.599 -1.263 0.00 0.00 -0.198 NA ATOM 13 C LIG 1 -1.711 -0.492 -0.562 0.00 0.00 +0.132 A ATOM 14 C LIG 1 -2.727 0.289 -0.009 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -4.093 -0.053 -0.146 0.00 0.00 -0.025 A ATOM 16 C LIG 1 -4.348 -1.204 -0.901 0.00 0.00 +0.072 A BRANCH 15 17 ATOM 17 C LIG 1 -5.241 0.845 0.539 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.498 2.237 -0.137 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.710 1.613 -0.858 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -6.753 0.558 0.265 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -4.945 0.960 2.089 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.049 -0.028 3.029 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.465 -1.389 2.831 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.646 0.529 4.203 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.305 1.781 4.000 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.487 2.052 2.664 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -6.481 1.079 -2.180 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -6.435 2.031 -3.235 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 O LIG 1 -3.631 -3.057 -2.152 0.00 0.00 -0.477 OA BRANCH 29 31 ATOM 30 C LIG 1 -2.109 -3.187 -4.044 0.00 0.00 +0.048 C ATOM 31 C LIG 1 -2.516 -3.767 -2.701 0.00 0.00 +0.227 C ENDBRANCH 29 31 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 2.132 3.136 1.411 0.00 0.00 +0.418 C ATOM 33 F LIG 1 3.173 3.965 1.691 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.233 3.885 0.712 0.00 0.00 -0.166 F ATOM 35 F LIG 1 1.536 2.856 2.601 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.716 0.062 -0.473 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.406 -0.069 0.812 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.885 -0.736 1.381 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.830 -0.409 0.652 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.370 -0.779 2.066 0.00 0.00 +0.022 C ATOM 41 C LIG 1 9.037 -2.011 1.419 0.00 0.00 +0.004 C ATOM 42 C LIG 1 7.985 -1.914 0.294 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.655 0.616 -0.102 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10