REMARK Name = BDB026287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.091 -1.308 0.234 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.930 -0.024 -0.340 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.343 0.466 -0.647 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.486 -0.304 -0.387 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.315 -1.574 0.180 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.367 -2.369 0.429 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.049 -2.074 0.489 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.771 -1.286 2.485 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.133 -2.613 2.055 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.905 -3.123 0.887 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.894 -4.114 1.315 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.012 -3.612 -0.192 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.783 -4.076 -1.437 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.978 -2.527 -0.640 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.398 -1.771 0.501 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.607 -2.418 1.804 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.801 0.230 -0.708 0.00 0.00 +0.022 A ATOM 18 C LIG 1 3.977 -0.091 -0.060 0.00 0.00 +0.117 A ATOM 19 N LIG 1 4.961 0.645 -0.655 0.00 0.00 -0.270 N ATOM 20 N LIG 1 4.514 1.433 -1.648 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 3.201 1.184 -1.675 0.00 0.00 +0.143 A BRANCH 19 22 ATOM 22 C LIG 1 6.375 0.635 -0.319 0.00 0.00 +0.159 C BRANCH 22 23 ATOM 23 C LIG 1 6.697 1.682 0.749 0.00 0.00 +0.108 C BRANCH 23 24 ATOM 24 N LIG 1 8.083 1.815 1.216 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 9.014 2.435 0.261 0.00 0.00 +0.112 C ATOM 26 C LIG 1 9.781 1.453 -0.638 0.00 0.00 +0.175 C ATOM 27 O LIG 1 10.418 0.428 0.132 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 9.452 -0.298 0.896 0.00 0.00 +0.175 C ATOM 29 C LIG 1 8.671 0.626 1.845 0.00 0.00 +0.112 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.123 0.705 -0.528 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.939 0.190 -0.203 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.293 1.936 -1.107 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.439 2.635 -1.637 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.717 2.397 -1.094 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -4.393 2.822 -2.311 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.659 3.270 -2.235 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -6.378 3.344 -0.936 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -7.528 3.772 -0.913 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.663 2.909 0.177 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -6.289 2.970 1.488 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -4.354 2.464 0.087 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.655 2.713 -3.615 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -4.441 3.093 -4.662 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.320 1.417 -3.863 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 8