REMARK Name = BDB001345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.214 -0.283 -0.370 0.00 0.00 +0.186 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -1.636 1.950 1.296 0.00 0.00 -0.270 OA ATOM 3 C LIG 1 -2.588 1.211 1.067 0.00 0.00 +0.248 C ATOM 4 N LIG 1 -2.469 0.086 0.290 0.00 0.00 -0.298 N ATOM 5 H LIG 1 -3.272 -0.520 0.149 0.00 0.00 +0.150 HD BRANCH 3 6 ATOM 6 C LIG 1 -3.928 1.501 1.662 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -5.132 0.930 1.221 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -6.341 1.231 1.863 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -6.366 2.141 2.918 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.183 2.742 3.343 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.973 2.423 2.720 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 -5.163 0.014 0.197 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 -5.559 0.448 -1.053 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -5.734 1.782 -1.432 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -6.117 2.090 -2.741 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -6.318 1.072 -3.672 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.133 -0.258 -3.299 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -5.751 -0.568 -1.993 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 -1.581 -1.188 -1.540 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -2.438 -2.062 -1.529 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -0.862 -0.949 -2.654 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -1.191 -1.600 -3.308 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -0.277 -1.018 0.596 0.00 0.00 +0.071 C BRANCH 23 24 ATOM 24 C LIG 1 1.079 -1.298 0.020 0.00 0.00 -0.019 A ATOM 25 C LIG 1 1.530 -2.510 -0.579 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.857 -2.318 -0.987 0.00 0.00 +0.061 A ATOM 27 C LIG 1 3.578 -3.349 -1.624 0.00 0.00 +0.047 A ATOM 28 C LIG 1 2.941 -4.573 -1.842 0.00 0.00 +0.043 A ATOM 29 C LIG 1 1.627 -4.782 -1.446 0.00 0.00 +0.021 A ATOM 30 CL LIG 1 3.802 -5.846 -2.621 0.00 0.00 -0.083 Cl ATOM 31 N LIG 1 3.228 -1.013 -0.643 0.00 0.00 -0.253 N ATOM 32 C LIG 1 4.483 -0.406 -0.877 0.00 0.00 +0.420 C ATOM 33 O LIG 1 5.399 -0.999 -1.426 0.00 0.00 -0.223 OA ATOM 34 C LIG 1 0.914 -3.759 -0.814 0.00 0.00 +0.012 A ATOM 35 C LIG 1 2.135 -0.415 -0.031 0.00 0.00 +0.102 A BRANCH 32 36 ATOM 36 O LIG 1 4.480 0.870 -0.415 0.00 0.00 -0.443 OA BRANCH 36 37 ATOM 37 C LIG 1 5.723 1.567 -0.544 0.00 0.00 +0.269 C BRANCH 37 38 ATOM 38 C LIG 1 6.504 1.436 0.736 0.00 0.00 -0.010 A ATOM 39 C LIG 1 7.542 0.500 0.845 0.00 0.00 +0.007 A ATOM 40 C LIG 1 8.250 0.365 2.039 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.924 1.158 3.138 0.00 0.00 +0.000 A ATOM 42 C LIG 1 6.887 2.084 3.045 0.00 0.00 +0.000 A ATOM 43 C LIG 1 6.176 2.220 1.851 0.00 0.00 +0.007 A ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11