REMARK Name = BDB016874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.267 -0.810 0.231 0.00 0.00 -0.253 N ATOM 2 C LIG 1 0.498 0.435 -0.113 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.884 -0.066 0.060 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.917 -1.355 0.489 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -2.177 -1.840 0.539 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -2.942 -0.854 0.081 0.00 0.00 +0.114 A ATOM 7 N LIG 1 -2.176 0.290 -0.178 0.00 0.00 -0.321 N ATOM 8 C LIG 1 0.418 -1.877 0.645 0.00 0.00 +0.272 C ATOM 9 O LIG 1 0.691 -3.008 1.008 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 5.483 -3.292 1.216 0.00 0.00 +0.046 C ATOM 11 C LIG 1 4.811 -2.109 0.583 0.00 0.00 -0.019 A ATOM 12 C LIG 1 5.508 -1.103 -0.102 0.00 0.00 +0.116 A ATOM 13 N LIG 1 6.847 -0.955 -0.352 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 7.018 0.163 -1.044 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 5.806 0.715 -1.222 0.00 0.00 -0.247 N ATOM 16 C LIG 1 5.698 1.955 -1.942 0.00 0.00 +0.175 C ATOM 17 C LIG 1 4.811 -0.039 -0.658 0.00 0.00 +0.091 A ATOM 18 C LIG 1 3.416 0.089 -0.578 0.00 0.00 +0.053 A ATOM 19 C LIG 1 2.691 -0.901 0.109 0.00 0.00 +0.040 A ATOM 20 C LIG 1 3.403 -1.977 0.671 0.00 0.00 +0.029 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 0.847 1.593 0.811 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.769 1.470 2.211 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.103 2.541 3.043 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.520 3.747 2.488 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.930 5.066 3.511 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.609 3.890 1.106 0.00 0.00 +0.020 A ATOM 27 C LIG 1 1.276 2.819 0.272 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.414 -1.021 -0.214 0.00 0.00 +0.060 C ATOM 29 C LIG 1 -4.628 -1.263 -1.719 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -5.889 -2.077 -1.960 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -5.841 -3.367 -1.355 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -5.044 -3.460 -0.171 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -5.035 -2.160 0.619 0.00 0.00 +0.039 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.623 1.495 -0.895 0.00 0.00 +0.140 C ATOM 35 C LIG 1 -2.014 2.817 -0.407 0.00 0.00 +0.187 C ATOM 36 O LIG 1 -3.319 3.454 -0.474 0.00 0.00 -0.376 OA ATOM 37 C LIG 1 -3.925 2.136 -0.382 0.00 0.00 +0.187 C ENDBRANCH 7 34 TORSDOF 4