REMARK Name = BDB010086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.420 -1.348 -0.130 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -1.056 -1.492 -0.365 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.608 -2.488 -1.215 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.751 -2.496 -1.309 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.174 -1.551 -0.491 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.409 -3.350 -1.858 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.702 -3.168 -1.566 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.098 -0.876 0.067 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.232 -2.234 -0.741 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.581 -1.240 -0.244 0.00 0.00 +0.018 A ATOM 11 C LIG 1 3.161 -1.473 1.010 0.00 0.00 +0.015 A ATOM 12 C LIG 1 4.502 -1.144 1.252 0.00 0.00 -0.050 A ATOM 13 C LIG 1 5.125 -1.427 2.586 0.00 0.00 +0.044 C ATOM 14 C LIG 1 5.270 -0.611 0.210 0.00 0.00 +0.003 A ATOM 15 C LIG 1 4.705 -0.397 -1.048 0.00 0.00 +0.001 A ATOM 16 C LIG 1 3.366 -0.715 -1.276 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 7 17 ATOM 17 C LIG 1 -3.664 -4.114 -2.236 0.00 0.00 +0.375 C ATOM 18 O LIG 1 -3.392 -5.013 -3.015 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 -4.958 -3.893 -1.900 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 -5.446 -4.573 -2.407 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 7 17 BRANCH 1 21 ATOM 21 N LIG 1 -2.951 -0.370 0.725 0.00 0.00 -0.314 N BRANCH 21 23 ATOM 22 C LIG 1 -4.258 -0.012 2.791 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -3.964 -0.949 1.627 0.00 0.00 +0.103 C ENDBRANCH 21 23 BRANCH 21 24 ATOM 24 C LIG 1 -3.336 0.846 -0.022 0.00 0.00 +0.103 C ATOM 25 C LIG 1 -4.619 0.734 -0.837 0.00 0.00 +0.024 C ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 8 26 ATOM 26 C LIG 1 0.195 0.256 0.981 0.00 0.00 +0.159 C BRANCH 26 27 ATOM 27 C LIG 1 0.851 1.471 0.362 0.00 0.00 -0.028 A ATOM 28 C LIG 1 1.850 2.155 1.071 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.470 3.281 0.524 0.00 0.00 +0.013 A ATOM 30 C LIG 1 2.102 3.754 -0.743 0.00 0.00 +0.055 A ATOM 31 C LIG 1 1.086 3.087 -1.442 0.00 0.00 +0.013 A ATOM 32 C LIG 1 0.467 1.960 -0.895 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 2.759 4.979 -1.327 0.00 0.00 +0.417 C ATOM 34 F LIG 1 2.096 6.124 -1.003 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.821 4.956 -2.688 0.00 0.00 -0.166 F ATOM 36 F LIG 1 4.041 5.157 -0.900 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9