REMARK Name = BDB034777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.680 -2.186 -0.425 0.00 0.00 -0.292 N ATOM 2 C LIG 1 0.616 -1.711 -0.178 0.00 0.00 +0.072 A ATOM 3 C LIG 1 1.305 -2.698 0.527 0.00 0.00 +0.070 A ATOM 4 C LIG 1 2.612 -2.526 0.922 0.00 0.00 +0.030 A ATOM 5 C LIG 1 3.226 -1.310 0.590 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.543 -0.297 -0.128 0.00 0.00 +0.033 A ATOM 7 N LIG 1 0.435 -3.777 0.723 0.00 0.00 -0.295 N ATOM 8 C LIG 1 0.753 -4.982 1.433 0.00 0.00 +0.154 C ATOM 9 C LIG 1 1.207 -0.508 -0.511 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -0.819 -3.467 0.156 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -1.829 -4.152 0.174 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 3.140 0.945 -0.430 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.758 1.375 -1.272 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 4.185 1.660 0.199 0.00 0.00 +0.053 A ATOM 15 C LIG 1 5.055 2.485 -0.538 0.00 0.00 +0.110 A ATOM 16 C LIG 1 6.085 3.122 0.142 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 7.225 4.160 -0.629 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 6.314 3.002 1.469 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 5.475 2.207 2.157 0.00 0.00 +0.114 A ATOM 20 C LIG 1 4.420 1.524 1.574 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 4.892 2.658 -1.946 0.00 0.00 +0.104 C ATOM 22 N LIG 1 4.711 2.777 -3.086 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 -1.745 -1.450 -1.058 0.00 0.00 +0.131 C BRANCH 23 24 ATOM 24 C LIG 1 -2.583 -0.686 -0.028 0.00 0.00 +0.071 C BRANCH 24 30 ATOM 25 C LIG 1 -5.030 3.476 0.524 0.00 0.00 +0.135 C ATOM 26 N LIG 1 -4.448 2.358 -0.176 0.00 0.00 -0.267 N ATOM 27 C LIG 1 -3.471 2.503 -1.132 0.00 0.00 +0.403 C ATOM 28 O LIG 1 -3.112 3.542 -1.659 0.00 0.00 -0.226 OA ATOM 29 O LIG 1 -2.904 1.285 -1.397 0.00 0.00 -0.442 OA ATOM 30 C LIG 1 -3.609 0.268 -0.653 0.00 0.00 +0.130 C ATOM 31 C LIG 1 -4.581 -0.437 -1.604 0.00 0.00 +0.057 C ATOM 32 C LIG 1 -4.354 1.059 0.418 0.00 0.00 +0.158 C ENDBRANCH 24 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 6