REMARK Name = BDB026182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.802 0.899 -0.651 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.068 -0.172 -0.080 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.332 -0.183 -0.123 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.054 0.850 -0.747 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.307 1.891 -1.315 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.929 2.907 -1.935 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.088 1.923 -1.271 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.668 3.627 1.707 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.092 3.056 0.404 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.036 3.202 -0.739 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.379 4.599 -1.016 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.446 2.590 -1.951 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.003 1.123 -1.769 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.204 0.882 -0.552 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.736 1.561 0.652 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.523 0.830 -0.798 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.265 -0.311 -1.034 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.616 -0.359 -1.086 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.293 0.782 -0.895 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.668 1.945 -0.648 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.316 1.944 -0.612 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.698 0.791 -0.941 0.00 0.00 -0.292 N ATOM 23 C LIG 1 7.337 -0.510 -1.268 0.00 0.00 +0.099 C ATOM 24 C LIG 1 7.085 -0.912 -2.728 0.00 0.00 +0.030 C ATOM 25 C LIG 1 8.875 -0.410 -1.088 0.00 0.00 +0.182 C ATOM 26 O LIG 1 9.250 0.101 0.197 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 8.722 1.424 0.351 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.192 1.407 0.310 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.838 -1.209 0.494 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.838 -1.023 0.438 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.404 -2.410 0.999 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.251 -2.822 1.050 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.525 -3.295 1.432 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.405 -3.018 2.557 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.373 -3.903 2.859 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -4.561 -5.150 2.068 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -5.470 -5.914 2.378 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.663 -5.345 1.024 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -3.758 -6.552 0.217 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -2.666 -4.429 0.728 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.197 -1.782 3.375 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -1.892 -1.595 3.695 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -3.592 -0.681 2.682 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6