REMARK Name = BDB032140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.651 0.467 -0.256 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.693 -0.310 0.380 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.751 -1.483 0.691 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.548 0.566 0.649 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -3.889 1.850 0.244 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -2.981 2.872 0.388 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -1.728 2.602 0.941 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.389 1.296 1.365 0.00 0.00 -0.007 A ATOM 9 F LIG 1 -3.289 4.114 -0.002 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -2.319 0.256 1.207 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -5.276 1.876 -0.287 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -10.467 -2.198 -0.003 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -9.408 -1.591 -0.136 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -8.927 -0.783 0.864 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.476 -0.753 1.712 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.836 0.055 0.823 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -7.610 0.826 1.755 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -7.030 0.046 -0.485 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -7.152 -1.309 -1.181 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.620 -1.619 -1.425 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 -0.023 1.017 1.940 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 0.864 0.783 0.845 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 2.147 0.547 1.224 0.00 0.00 +0.405 C ATOM 24 N LIG 1 2.886 0.331 0.097 0.00 0.00 -0.251 N ATOM 25 H LIG 1 2.348 0.387 -0.756 0.00 0.00 +0.158 HD ATOM 26 O LIG 1 2.522 0.542 2.386 0.00 0.00 -0.226 OA BRANCH 24 27 ATOM 27 C LIG 1 4.258 0.048 -0.009 0.00 0.00 +0.036 A ATOM 28 C LIG 1 5.114 -0.072 1.084 0.00 0.00 +0.024 A ATOM 29 C LIG 1 6.474 -0.358 0.895 0.00 0.00 +0.012 A ATOM 30 C LIG 1 7.022 -0.528 -0.388 0.00 0.00 +0.000 A ATOM 31 C LIG 1 6.139 -0.413 -1.475 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.780 -0.128 -1.292 0.00 0.00 +0.024 A BRANCH 30 33 ATOM 33 C LIG 1 8.455 -0.826 -0.606 0.00 0.00 +0.071 A ATOM 34 N LIG 1 8.743 -1.547 -1.721 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 10.037 -1.851 -1.965 0.00 0.00 +0.111 A ATOM 36 C LIG 1 11.086 -1.465 -1.152 0.00 0.00 +0.020 A ATOM 37 C LIG 1 10.790 -0.719 -0.020 0.00 0.00 +0.004 A ATOM 38 C LIG 1 9.463 -0.394 0.257 0.00 0.00 +0.028 A ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 6