REMARK Name = BDB010024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.182 0.829 1.472 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.261 0.276 0.593 0.00 0.00 -0.319 N ATOM 3 C LIG 1 0.778 -0.203 1.351 0.00 0.00 +0.100 A ATOM 4 C LIG 1 2.031 -0.884 0.954 0.00 0.00 +0.192 C ATOM 5 N LIG 1 2.529 -1.586 2.107 0.00 0.00 -0.303 N ATOM 6 H LIG 1 3.500 -1.875 2.032 0.00 0.00 +0.150 HD ATOM 7 C LIG 1 2.173 -1.162 3.380 0.00 0.00 +0.208 C ATOM 8 N LIG 1 1.158 -0.425 3.737 0.00 0.00 -0.204 NA ATOM 9 C LIG 1 0.391 -0.012 2.649 0.00 0.00 +0.180 A ATOM 10 N LIG 1 -0.804 0.627 2.723 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -3.570 4.669 -0.686 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -3.596 3.333 -0.003 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -2.403 2.720 0.404 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -2.423 1.490 1.076 0.00 0.00 +0.018 A ATOM 15 C LIG 1 -3.651 0.895 1.379 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -4.844 1.504 0.990 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.816 2.717 0.301 0.00 0.00 +0.003 A ENDBRANCH 1 14 BRANCH 7 18 ATOM 18 C LIG 1 3.078 -1.598 4.557 0.00 0.00 +0.370 C ATOM 19 O LIG 1 4.108 -2.221 4.380 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 2.577 -1.193 5.735 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 1.745 -0.694 5.546 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 7 18 BRANCH 4 22 ATOM 22 N LIG 1 2.937 0.079 0.349 0.00 0.00 -0.291 NA ATOM 23 H LIG 1 2.439 0.933 0.116 0.00 0.00 +0.124 HD BRANCH 22 24 ATOM 24 C LIG 1 3.663 -0.413 -0.825 0.00 0.00 +0.056 C ATOM 25 C LIG 1 4.615 -1.562 -0.494 0.00 0.00 +0.024 C BRANCH 24 26 ATOM 26 C LIG 1 4.339 0.804 -1.423 0.00 0.00 +0.006 C ATOM 27 C LIG 1 5.402 1.568 -0.665 0.00 0.00 +0.005 C ATOM 28 C LIG 1 5.767 0.833 -1.923 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 4 22 BRANCH 2 29 ATOM 29 C LIG 1 -0.390 0.203 -0.856 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -1.472 -0.756 -1.292 0.00 0.00 -0.025 A ATOM 31 C LIG 1 -1.391 -2.125 -0.999 0.00 0.00 +0.044 A ATOM 32 C LIG 1 -2.402 -2.992 -1.409 0.00 0.00 +0.135 A ATOM 33 F LIG 1 -2.291 -4.293 -1.110 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -3.509 -2.535 -2.118 0.00 0.00 +0.090 A ATOM 35 C LIG 1 -3.591 -1.169 -2.419 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -2.581 -0.291 -2.014 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -4.569 -3.510 -2.531 0.00 0.00 +0.420 C ATOM 38 F LIG 1 -5.154 -4.140 -1.477 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -4.097 -4.489 -3.350 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -5.591 -2.923 -3.220 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9