REMARK Name = BDB037860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.638 3.040 0.436 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.423 2.117 0.399 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.584 1.165 -0.591 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.336 0.134 0.037 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.815 0.561 1.222 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.189 1.344 -1.856 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.647 1.621 -1.450 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.454 1.869 1.297 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.692 2.864 -0.507 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.690 3.591 -0.497 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.161 0.274 -2.868 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.787 -0.630 -3.374 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.436 -1.573 -4.345 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.862 -1.611 -4.831 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.188 -2.504 -5.774 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.819 -0.721 -4.367 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.469 0.223 -3.399 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.201 2.745 2.124 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.883 2.232 3.237 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.644 3.081 4.042 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.747 4.435 3.728 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.102 4.941 2.600 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.338 4.097 1.792 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -1.495 -1.276 -0.368 0.00 0.00 +0.268 C ATOM 25 N LIG 1 -2.769 -1.854 -0.260 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -3.970 -1.053 -0.031 0.00 0.00 +0.134 C ATOM 27 O LIG 1 -0.514 -1.925 -0.729 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -2.955 -3.316 -0.571 0.00 0.00 +0.124 C ATOM 29 C LIG 1 -1.884 -4.279 0.037 0.00 0.00 +0.041 C ATOM 30 C LIG 1 -3.023 -5.248 0.402 0.00 0.00 +0.006 C ATOM 31 C LIG 1 -3.968 -4.034 0.389 0.00 0.00 +0.041 C BRANCH 28 32 ATOM 32 C LIG 1 -3.239 -3.506 -1.991 0.00 0.00 +0.089 C ATOM 33 N LIG 1 -3.523 -3.648 -3.107 0.00 0.00 -0.194 NA ENDBRANCH 28 32 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 34 ATOM 34 N LIG 1 2.282 0.497 -0.743 0.00 0.00 -0.299 N ATOM 35 H LIG 1 1.813 0.135 0.078 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 3.598 0.157 -0.950 0.00 0.00 +0.245 C ATOM 37 O LIG 1 4.321 0.698 -1.776 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 4.125 -0.940 -0.096 0.00 0.00 +0.037 A ATOM 39 C LIG 1 5.482 -0.921 0.253 0.00 0.00 +0.025 A ATOM 40 C LIG 1 6.028 -1.940 1.050 0.00 0.00 +0.056 A ATOM 41 C LIG 1 5.189 -2.975 1.495 0.00 0.00 +0.012 A ATOM 42 C LIG 1 3.841 -3.006 1.132 0.00 0.00 +0.001 A ATOM 43 C LIG 1 3.308 -1.994 0.333 0.00 0.00 +0.013 A BRANCH 40 44 ATOM 44 C LIG 1 7.482 -1.899 1.450 0.00 0.00 +0.417 C ATOM 45 F LIG 1 7.689 -1.131 2.555 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.291 -1.391 0.481 0.00 0.00 -0.166 F ATOM 47 F LIG 1 7.989 -3.127 1.751 0.00 0.00 -0.166 F ENDBRANCH 40 44 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 49 ATOM 48 C LIG 1 0.884 5.421 1.160 0.00 0.00 +0.025 C ATOM 49 C LIG 1 0.932 3.948 1.549 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 9