REMARK Name = BDB035660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.373 0.318 0.899 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.799 0.435 1.654 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.988 0.421 2.856 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.906 0.601 0.704 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.256 0.750 0.968 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.125 0.892 -0.121 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.605 0.868 -1.438 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.228 0.717 -1.690 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.390 0.584 -0.586 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.092 0.405 -0.528 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.120 -0.152 0.980 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -2.790 0.050 0.529 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.689 0.123 1.403 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.944 -0.003 2.770 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.243 -0.193 3.244 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.319 -0.264 2.361 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.270 -0.196 -0.055 0.00 0.00 +0.152 C BRANCH 17 18 ATOM 18 C LIG 1 -6.669 -0.289 0.543 0.00 0.00 +0.170 A ATOM 19 N LIG 1 -7.745 0.539 0.302 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -7.844 1.683 -0.565 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -8.780 0.051 1.044 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -8.395 -1.019 1.690 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -7.085 -1.245 1.363 0.00 0.00 -0.131 NA ENDBRANCH 17 18 BRANCH 17 25 ATOM 24 C LIG 1 -5.006 -2.742 -0.543 0.00 0.00 +0.011 C ATOM 25 C LIG 1 -5.049 -1.323 -1.127 0.00 0.00 +0.027 C ATOM 26 C LIG 1 -6.069 -1.276 -2.276 0.00 0.00 +0.011 C ENDBRANCH 17 25 BRANCH 17 27 ATOM 27 O LIG 1 -5.187 1.068 -0.747 0.00 0.00 -0.376 OA ATOM 28 H LIG 1 -4.794 1.704 -0.122 0.00 0.00 +0.211 HD ENDBRANCH 17 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.676 0.687 -3.089 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.708 1.627 -3.279 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.091 -0.507 -3.385 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.606 0.904 -4.057 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.618 1.036 0.102 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.298 -0.202 -0.255 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.787 -0.990 0.143 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.747 -0.280 -0.012 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.024 -0.463 1.504 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.211 0.512 1.331 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.497 1.075 0.079 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.375 -1.322 -0.928 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9