REMARK Name = BDB026017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.636 -0.707 -0.106 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.029 -1.947 -0.364 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.782 -3.048 -0.515 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.354 -2.094 -0.461 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.190 -0.989 -0.298 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.605 0.273 -0.044 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.214 0.404 0.049 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.599 -1.075 -0.381 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.112 -1.439 -1.726 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.766 -2.853 -1.763 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.302 -3.116 -3.174 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.866 -3.030 -0.774 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.005 -4.436 -0.386 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.669 -2.176 0.422 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.193 -1.853 0.732 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.844 -0.291 0.199 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.061 0.371 1.063 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 2.722 0.221 0.946 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.096 -0.566 -0.001 0.00 0.00 +0.021 A ATOM 20 C LIG 1 2.993 -1.202 -0.835 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.339 -1.083 -0.759 0.00 0.00 -0.222 NA BRANCH 16 28 ATOM 22 C LIG 1 8.625 2.674 1.114 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.007 1.525 0.328 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.027 0.529 0.152 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.535 -0.747 -0.300 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.822 -1.770 0.797 0.00 0.00 +0.039 C ATOM 27 C LIG 1 7.049 -0.758 -0.729 0.00 0.00 +0.139 C ATOM 28 N LIG 1 6.211 -0.171 0.311 0.00 0.00 -0.295 N ATOM 29 C LIG 1 6.756 0.973 1.045 0.00 0.00 +0.139 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.512 1.347 0.096 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.478 1.038 -0.016 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.225 2.676 0.291 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -1.124 3.202 0.369 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.415 3.558 0.355 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.406 3.426 1.343 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -5.504 4.306 1.308 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -5.583 5.296 0.333 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -6.634 6.125 0.323 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -4.587 5.442 -0.623 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -3.497 4.574 -0.612 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -4.323 2.378 2.419 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -4.672 1.147 1.954 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.088 2.249 2.969 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.164 2.621 3.464 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6