REMARK Name = BDB037543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.701 2.819 -0.455 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.274 1.860 -0.126 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.363 0.625 -0.737 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -0.953 -0.202 0.253 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.490 0.547 1.231 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.356 0.424 -2.027 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.793 0.925 -1.814 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.254 1.836 0.860 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.747 2.415 -1.337 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.678 3.175 -1.621 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.887 -1.667 0.370 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.077 -2.378 0.515 0.00 0.00 -0.276 N ATOM 13 C LIG 1 -3.390 -1.760 0.807 0.00 0.00 +0.205 C ATOM 14 C LIG 1 -4.535 -2.621 0.233 0.00 0.00 +0.197 C ATOM 15 O LIG 1 -4.423 -4.008 0.586 0.00 0.00 -0.375 OA ATOM 16 C LIG 1 -3.183 -4.557 0.121 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -1.996 -3.822 0.746 0.00 0.00 +0.137 C ATOM 18 O LIG 1 0.211 -2.223 0.333 0.00 0.00 -0.268 OA BRANCH 13 19 ATOM 19 C LIG 1 -3.597 -1.552 2.261 0.00 0.00 +0.087 C ATOM 20 N LIG 1 -3.770 -1.384 3.398 0.00 0.00 -0.195 NA ENDBRANCH 13 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 0.044 -0.952 -2.580 0.00 0.00 -0.037 A ATOM 22 C LIG 1 -1.272 -1.235 -3.010 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -1.612 -2.489 -3.519 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -0.637 -3.470 -3.619 0.00 0.00 +0.123 A ATOM 25 F LIG 1 -0.964 -4.678 -4.097 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.671 -3.213 -3.236 0.00 0.00 +0.038 A ATOM 27 C LIG 1 1.013 -1.956 -2.727 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -2.070 2.865 1.395 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -2.701 2.672 2.633 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -3.533 3.663 3.155 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.756 4.838 2.438 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.160 5.017 1.190 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -2.326 4.029 0.663 0.00 0.00 +0.028 A ENDBRANCH 8 28 BRANCH 7 34 ATOM 34 N LIG 1 2.545 0.154 -0.816 0.00 0.00 -0.298 N ATOM 35 H LIG 1 2.132 0.029 0.099 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 3.893 -0.110 -0.963 0.00 0.00 +0.265 C ATOM 37 O LIG 1 4.504 0.186 -1.986 0.00 0.00 -0.268 OA BRANCH 36 38 ATOM 38 C LIG 1 4.516 -0.798 0.190 0.00 0.00 +0.147 A ATOM 39 N LIG 1 5.852 -0.831 0.352 0.00 0.00 -0.160 NA ATOM 40 N LIG 1 6.057 -1.543 1.490 0.00 0.00 -0.178 N ATOM 41 C LIG 1 4.882 -1.969 2.056 0.00 0.00 +0.118 A ATOM 42 C LIG 1 3.874 -1.512 1.242 0.00 0.00 +0.054 A BRANCH 40 43 ATOM 43 C LIG 1 7.412 -1.802 2.002 0.00 0.00 +0.506 C ATOM 44 F LIG 1 8.085 -0.654 2.275 0.00 0.00 -0.149 F ATOM 45 F LIG 1 7.379 -2.516 3.163 0.00 0.00 -0.149 F ATOM 46 F LIG 1 8.163 -2.522 1.128 0.00 0.00 -0.149 F ENDBRANCH 40 43 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 48 ATOM 47 C LIG 1 0.755 5.316 -0.575 0.00 0.00 +0.025 C ATOM 48 C LIG 1 0.941 4.067 0.278 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8