REMARK Name = BDB005674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.113 0.646 -0.662 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.520 1.826 -0.310 0.00 0.00 +0.096 A ATOM 3 C LIG 1 0.372 2.418 0.585 0.00 0.00 +0.095 A ATOM 4 C LIG 1 0.059 3.625 1.207 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -1.169 4.166 0.876 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -2.043 3.609 0.002 0.00 0.00 -0.240 NA ATOM 7 N LIG 1 1.508 1.671 0.727 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -1.739 2.439 -0.618 0.00 0.00 +0.099 A ATOM 9 C LIG 1 1.355 0.633 -0.056 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 2.235 -0.388 -0.252 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.013 -0.784 0.962 0.00 0.00 +0.105 C ATOM 12 C LIG 1 4.319 0.046 1.126 0.00 0.00 +0.139 C ATOM 13 C LIG 1 5.209 -0.604 2.184 0.00 0.00 +0.033 C ATOM 14 C LIG 1 5.621 -2.035 1.820 0.00 0.00 +0.003 C ATOM 15 C LIG 1 4.712 -2.708 0.792 0.00 0.00 +0.002 C ATOM 16 O LIG 1 5.091 0.139 -0.088 0.00 0.00 -0.373 OA ATOM 17 C LIG 1 4.299 0.678 -1.150 0.00 0.00 +0.179 C ATOM 18 C LIG 1 3.250 -2.311 0.953 0.00 0.00 +0.025 C ATOM 19 C LIG 1 3.102 -0.233 -1.445 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 20 ATOM 20 C LIG 1 -1.578 5.436 1.497 0.00 0.00 +0.268 A ATOM 21 O LIG 1 -2.793 5.917 1.132 0.00 0.00 -0.386 OA ATOM 22 C LIG 1 -2.913 7.071 1.838 0.00 0.00 +0.436 A ATOM 23 O LIG 1 -3.862 7.834 1.812 0.00 0.00 -0.221 OA ATOM 24 N LIG 1 -1.764 7.195 2.571 0.00 0.00 -0.208 N ATOM 25 H LIG 1 -1.553 7.956 3.202 0.00 0.00 +0.195 HD ATOM 26 N LIG 1 -0.916 6.156 2.354 0.00 0.00 -0.128 NA ENDBRANCH 5 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.724 1.955 -1.568 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -2.526 2.052 -2.952 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -3.502 1.579 -3.825 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 -3.266 1.667 -5.523 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 -4.656 1.027 -3.294 0.00 0.00 +0.130 A ATOM 32 N LIG 1 -4.895 0.926 -1.965 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 -3.934 1.411 -1.140 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 1 34 ATOM 34 C LIG 1 -0.434 -0.444 -1.454 0.00 0.00 +0.128 C BRANCH 34 39 ATOM 35 C LIG 1 -3.518 -4.875 0.820 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -2.501 -3.998 0.092 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -1.735 -3.118 1.086 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.747 -2.191 0.379 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -1.436 -1.328 -0.690 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -2.200 -2.220 -1.682 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -3.191 -3.139 -0.974 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 5