REMARK Name = BDB040515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.663 -2.003 -0.905 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.586 -2.606 -0.050 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -2.765 -1.940 0.318 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -3.799 -2.792 1.418 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -3.065 -0.647 -0.161 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.106 -0.041 -1.001 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -2.281 1.566 -1.623 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -0.928 -0.710 -1.365 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -4.363 0.051 0.241 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -5.173 0.566 -0.947 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -5.271 -0.046 -2.009 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -5.881 1.727 -0.748 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -6.425 2.048 -1.537 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -6.134 2.358 0.443 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -6.953 3.271 0.516 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -5.431 1.810 1.660 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -4.116 1.147 1.285 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 0.619 -2.699 -1.282 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 2.556 -1.303 -0.641 0.00 0.00 +0.228 C ATOM 20 N LIG 1 1.678 -2.340 -0.365 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.646 -2.741 0.560 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.519 -0.719 -1.722 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 3.551 -0.972 0.493 0.00 0.00 +0.117 C ATOM 24 C LIG 1 4.436 -2.201 0.767 0.00 0.00 +0.030 C ATOM 25 C LIG 1 2.793 -0.594 1.778 0.00 0.00 +0.030 C BRANCH 23 29 ATOM 26 C LIG 1 4.435 3.668 -0.637 0.00 0.00 +0.088 C ATOM 27 C LIG 1 4.793 2.257 -0.427 0.00 0.00 +0.122 A ATOM 28 O LIG 1 3.796 1.414 -0.026 0.00 0.00 -0.444 OA ATOM 29 C LIG 1 4.405 0.186 0.054 0.00 0.00 +0.210 A ATOM 30 N LIG 1 5.699 0.210 -0.214 0.00 0.00 -0.221 NA ATOM 31 C LIG 1 5.946 1.519 -0.539 0.00 0.00 +0.155 A ENDBRANCH 23 29 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5