REMARK Name = BDB019911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.844 1.051 -0.123 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.420 0.971 0.480 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.033 -0.267 0.707 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.372 -1.450 0.352 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -0.897 -1.404 -0.245 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.481 -0.148 -0.491 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.766 3.276 0.656 0.00 0.00 +0.146 A ATOM 8 C LIG 1 -1.488 2.357 -0.375 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.837 2.710 -1.688 0.00 0.00 +0.032 A ATOM 10 C LIG 1 -2.434 3.937 -1.927 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -2.708 4.833 -0.960 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -2.370 4.481 0.304 0.00 0.00 +0.156 A BRANCH 7 14 ATOM 13 C LIG 1 -1.626 3.862 2.964 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -1.440 2.902 1.933 0.00 0.00 -0.493 OA ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 15 ATOM 15 C LIG 1 2.376 -0.282 1.347 0.00 0.00 +0.244 C ATOM 16 N LIG 1 3.213 -1.315 0.979 0.00 0.00 -0.307 N ATOM 17 H LIG 1 2.977 -1.865 0.166 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 2.700 0.607 2.126 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 4.588 -1.358 1.425 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 5.510 -0.794 0.373 0.00 0.00 -0.029 A ATOM 21 C LIG 1 5.654 0.596 0.232 0.00 0.00 +0.026 A ATOM 22 C LIG 1 6.486 1.132 -0.756 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 6.607 2.852 -0.862 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 7.182 0.278 -1.616 0.00 0.00 +0.059 A ATOM 25 CL LIG 1 8.228 0.863 -2.861 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 7.040 -1.107 -1.486 0.00 0.00 +0.022 A ATOM 27 C LIG 1 6.206 -1.641 -0.500 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 28 ATOM 28 C LIG 1 -1.596 -2.688 -0.647 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -2.984 -2.716 -0.239 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -4.088 -2.482 -1.069 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -4.132 -2.203 -2.323 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -3.191 -2.173 -2.708 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -5.188 -2.593 -0.215 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -6.535 -2.280 -0.622 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -4.761 -2.825 1.082 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -3.424 -2.910 1.069 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7