REMARK Name = BDB016036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.542 -1.050 -2.129 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.321 -1.721 -2.999 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.661 -1.678 -2.657 0.00 0.00 +0.125 A ATOM 4 N LIG 1 2.155 -1.049 -1.573 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 1.251 -0.445 -0.786 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.073 -0.433 -1.029 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.120 -2.446 -4.176 0.00 0.00 +0.024 A ATOM 8 C LIG 1 0.527 -2.446 -5.396 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -0.216 -3.242 -6.221 0.00 0.00 -0.274 N ATOM 10 C LIG 1 0.054 -3.554 -7.604 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -1.306 -3.759 -5.627 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -1.241 -3.282 -4.381 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 1.732 0.259 0.422 0.00 0.00 +0.020 A ATOM 14 C LIG 1 3.097 0.270 0.775 0.00 0.00 +0.020 A ATOM 15 C LIG 1 3.568 0.940 1.919 0.00 0.00 -0.014 A ATOM 16 C LIG 1 2.648 1.613 2.731 0.00 0.00 +0.008 A ATOM 17 C LIG 1 1.293 1.620 2.408 0.00 0.00 +0.001 A ATOM 18 C LIG 1 0.845 0.950 1.268 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 4.985 0.917 2.244 0.00 0.00 +0.020 A ATOM 20 C LIG 1 5.661 1.897 2.943 0.00 0.00 +0.116 A ATOM 21 N LIG 1 6.963 1.494 3.012 0.00 0.00 -0.274 N ATOM 22 C LIG 1 8.056 2.191 3.643 0.00 0.00 +0.172 C ATOM 23 N LIG 1 7.193 0.316 2.405 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 5.990 -0.031 1.936 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 -1.925 -1.035 -2.378 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.079 -0.772 -3.350 0.00 0.00 +0.148 HD BRANCH 25 30 ATOM 27 C LIG 1 -3.607 1.248 0.893 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -3.918 -0.256 0.822 0.00 0.00 +0.007 C ATOM 29 C LIG 1 -2.933 -0.986 -0.090 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -2.863 -0.346 -1.483 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -2.663 1.175 -1.457 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -3.654 1.860 -0.515 0.00 0.00 +0.007 C BRANCH 27 33 ATOM 33 C LIG 1 -4.573 1.988 1.831 0.00 0.00 +0.107 C BRANCH 33 36 ATOM 34 C LIG 1 -3.373 1.395 5.378 0.00 0.00 +0.109 C ATOM 35 C LIG 1 -3.393 2.001 4.001 0.00 0.00 +0.210 C ATOM 36 N LIG 1 -4.436 1.568 3.212 0.00 0.00 -0.315 N ATOM 37 H LIG 1 -5.020 0.811 3.543 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 -2.535 2.795 3.627 0.00 0.00 -0.276 OA ENDBRANCH 33 36 ENDBRANCH 27 33 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 7