REMARK Name = BDB028066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.255 0.815 -0.974 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.131 2.170 -1.367 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.873 2.774 -1.565 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.747 1.982 -1.362 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.297 2.332 -1.488 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.368 1.087 -1.144 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.528 0.073 -0.839 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.341 -1.085 -0.512 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.873 0.650 -0.979 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.099 0.043 -0.782 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.773 1.025 -1.147 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -2.427 2.160 -1.479 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -3.783 2.182 -1.492 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -4.504 1.030 -1.171 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -3.864 -0.174 -0.833 0.00 0.00 -0.031 A ATOM 16 C LIG 1 -2.461 -0.138 -0.823 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 -4.691 -1.499 -0.448 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -5.899 -1.869 -1.369 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -5.476 -3.263 -1.392 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.142 -2.847 -1.006 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -4.902 -1.532 1.082 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -6.177 -2.135 1.558 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -6.391 -3.449 1.884 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.463 -4.545 1.861 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -7.701 -3.539 2.247 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.262 -2.356 2.166 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.303 -1.472 1.736 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 BRANCH 13 28 ATOM 28 C LIG 1 -4.436 3.499 -1.864 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -5.724 3.961 -1.224 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -5.710 3.558 -2.672 0.00 0.00 +0.010 C ENDBRANCH 13 28 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 2.744 4.216 -1.977 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.053 4.953 -1.066 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.079 4.358 -3.156 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.939 4.845 -2.142 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 5.624 0.195 -0.775 0.00 0.00 +0.119 C BRANCH 35 43 ATOM 36 C LIG 1 8.421 -2.764 2.008 0.00 0.00 +0.015 C ATOM 37 C LIG 1 7.170 -1.886 1.975 0.00 0.00 +0.069 C ATOM 38 C LIG 1 7.218 -0.815 3.054 0.00 0.00 +0.254 C ATOM 39 F LIG 1 7.264 -1.394 4.281 0.00 0.00 -0.205 F ATOM 40 F LIG 1 8.360 -0.086 2.932 0.00 0.00 -0.205 F ATOM 41 C LIG 1 6.032 0.121 2.987 0.00 0.00 +0.091 C ATOM 42 C LIG 1 5.908 0.709 1.589 0.00 0.00 +0.090 C ATOM 43 N LIG 1 5.812 -0.359 0.579 0.00 0.00 -0.298 NA ATOM 44 C LIG 1 7.010 -1.217 0.608 0.00 0.00 +0.093 C ENDBRANCH 35 43 ENDBRANCH 1 35 TORSDOF 8