REMARK Name = BDB005675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.234 0.221 0.936 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.141 0.327 0.094 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.569 1.457 0.466 0.00 0.00 +0.096 A ATOM 4 C LIG 1 0.064 1.861 1.643 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -0.426 2.929 2.391 0.00 0.00 +0.063 A ATOM 6 C LIG 1 -1.554 3.544 1.883 0.00 0.00 +0.130 A ATOM 7 N LIG 1 -2.157 3.194 0.723 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 -1.669 2.170 -0.028 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.173 1.105 1.900 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.149 4.668 2.623 0.00 0.00 +0.268 A ATOM 11 O LIG 1 -3.259 5.223 2.076 0.00 0.00 -0.386 OA ATOM 12 C LIG 1 -3.591 6.213 2.946 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -4.537 6.972 2.841 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -2.658 6.176 3.945 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -2.635 6.793 4.746 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -1.742 5.193 3.740 0.00 0.00 -0.128 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.334 1.966 -1.304 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.695 1.639 -1.376 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.305 1.467 -2.615 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -5.962 1.034 -2.719 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -3.541 1.643 -3.757 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -2.230 1.982 -3.739 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -1.670 2.157 -2.517 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 3.616 -0.126 0.780 0.00 0.00 +0.107 C ATOM 25 N LIG 1 2.224 -0.689 0.719 0.00 0.00 -0.295 N ATOM 26 C LIG 1 2.181 -1.854 1.625 0.00 0.00 +0.108 C ATOM 27 C LIG 1 3.598 -2.394 1.621 0.00 0.00 +0.021 C ATOM 28 C LIG 1 4.428 -1.128 1.627 0.00 0.00 +0.027 C BRANCH 24 29 ATOM 29 C LIG 1 4.226 0.145 -0.640 0.00 0.00 +0.082 C ATOM 30 C LIG 1 3.446 1.241 -1.389 0.00 0.00 +0.043 C ATOM 31 C LIG 1 4.220 -1.120 -1.518 0.00 0.00 +0.043 C BRANCH 29 33 ATOM 32 C LIG 1 5.943 1.705 0.134 0.00 0.00 +0.194 C ATOM 33 O LIG 1 5.626 0.510 -0.564 0.00 0.00 -0.375 OA ENDBRANCH 29 33 ENDBRANCH 24 29 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -0.159 -0.623 -0.965 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.942 -1.863 -0.490 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.795 -2.996 -1.519 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.569 -4.246 -1.106 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.050 -3.939 -0.853 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.790 -5.192 -0.390 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.201 -2.809 0.172 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.427 -1.560 -0.247 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7