REMARK Name = BDB006574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.785 0.144 1.453 0.00 0.00 +0.200 A ATOM 2 N LIG 1 -0.517 0.360 1.043 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.828 1.684 1.305 0.00 0.00 +0.096 A ATOM 4 C LIG 1 0.395 2.231 1.696 0.00 0.00 +0.095 A ATOM 5 C LIG 1 0.511 3.593 1.966 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -0.651 4.323 1.824 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -1.858 3.810 1.470 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.978 2.478 1.222 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.367 1.273 1.775 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.640 5.774 2.075 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -1.780 6.466 1.954 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -2.685 6.101 1.706 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.491 7.742 2.236 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.276 8.676 2.234 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.151 7.827 2.532 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.375 6.498 2.413 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -3.322 2.010 0.926 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.998 2.414 -0.233 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -5.287 1.952 -0.480 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -6.121 2.416 -1.907 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -5.876 1.107 0.446 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -5.269 0.706 1.588 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -4.018 1.181 1.805 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 2.808 -1.176 1.219 0.00 0.00 +0.162 C ATOM 25 N LIG 1 1.338 -1.095 1.459 0.00 0.00 -0.289 N ATOM 26 C LIG 1 0.997 -1.953 2.605 0.00 0.00 +0.109 C ATOM 27 C LIG 1 2.182 -2.895 2.754 0.00 0.00 +0.021 C ATOM 28 C LIG 1 3.356 -2.008 2.383 0.00 0.00 +0.033 C BRANCH 24 30 ATOM 29 N LIG 1 4.367 -1.683 -0.708 0.00 0.00 -0.303 N ATOM 30 C LIG 1 3.106 -1.885 -0.130 0.00 0.00 +0.236 C ATOM 31 O LIG 1 2.280 -2.638 -0.658 0.00 0.00 -0.274 OA ATOM 32 C LIG 1 5.307 -0.673 -0.244 0.00 0.00 +0.132 C BRANCH 29 34 ATOM 33 C LIG 1 4.107 -1.263 -3.137 0.00 0.00 +0.024 C ATOM 34 C LIG 1 4.587 -2.216 -2.052 0.00 0.00 +0.104 C ENDBRANCH 29 34 ENDBRANCH 24 30 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 -1.348 -0.624 0.362 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.574 -0.331 -1.139 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.755 -1.150 -1.677 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -2.476 -2.653 -1.739 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.019 -2.996 -2.092 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.943 -4.292 -2.898 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.341 -1.844 -2.834 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.312 -0.561 -1.997 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7