REMARK Name = BDB035485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.032 1.560 -0.609 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.744 0.727 0.261 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.365 -0.076 1.094 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.171 0.982 0.025 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.264 0.392 0.632 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.540 0.807 0.229 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.668 1.796 -0.777 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.543 2.388 -1.383 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.290 1.957 -0.958 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.930 2.384 -1.407 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.639 0.864 -0.147 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.237 0.784 -0.029 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.382 1.637 -0.742 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.970 2.576 -1.603 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.359 2.666 -1.736 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.189 1.817 -1.012 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.522 -0.094 0.651 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.599 0.628 1.407 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.383 1.372 2.543 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.134 1.611 3.216 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -6.593 1.872 2.910 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -7.508 1.471 2.062 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -6.884 0.695 1.116 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 -6.451 -2.492 -1.188 0.00 0.00 +0.118 C ATOM 25 C LIG 1 -5.995 -1.031 -1.434 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -4.970 -1.230 -0.280 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.933 -2.323 0.264 0.00 0.00 +0.036 C BRANCH 24 29 ATOM 28 C LIG 1 -8.317 -4.023 -0.962 0.00 0.00 +0.194 C ATOM 29 O LIG 1 -7.860 -2.740 -1.360 0.00 0.00 -0.380 OA ENDBRANCH 24 29 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.681 3.433 -2.458 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.182 3.010 -3.651 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.963 3.817 -2.696 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.996 4.571 -2.155 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.779 0.186 0.840 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.430 -0.697 -0.130 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.726 -1.336 -0.500 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.610 -1.373 0.436 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.022 -2.493 -0.568 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.145 -3.442 0.644 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.166 -2.514 1.395 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.736 -0.448 0.861 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9