REMARK Name = BDB054293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.344 -3.707 -0.469 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -0.529 -2.417 -0.972 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.541 -1.714 -1.534 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.809 -2.298 -1.623 0.00 0.00 -0.046 A ATOM 5 C LIG 1 1.985 -3.604 -1.156 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.913 -4.306 -0.597 0.00 0.00 +0.023 A ENDROOT BRANCH 1 11 ATOM 7 O LIG 1 -3.421 -5.027 0.782 0.00 0.00 -0.252 OA ATOM 8 C LIG 1 -2.591 -4.133 0.631 0.00 0.00 +0.308 C ATOM 9 N LIG 1 -2.739 -2.827 1.008 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.872 -2.328 1.139 0.00 0.00 +0.156 HD ATOM 11 N LIG 1 -1.366 -4.475 0.117 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.234 -5.479 0.123 0.00 0.00 +0.156 HD BRANCH 9 13 ATOM 13 C LIG 1 -3.902 -2.185 1.476 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -3.759 -0.882 1.968 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.868 -0.170 2.433 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -6.143 -0.748 2.414 0.00 0.00 -0.033 A ATOM 17 C LIG 1 -6.284 -2.049 1.915 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -5.172 -2.760 1.446 0.00 0.00 +0.023 A BRANCH 16 19 ATOM 19 C LIG 1 -7.342 0.022 2.926 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 -7.621 1.250 2.159 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 -7.988 0.936 0.765 0.00 0.00 +0.087 C ATOM 22 C LIG 1 -8.657 2.119 0.065 0.00 0.00 +0.046 C ATOM 23 C LIG 1 -9.958 2.509 0.770 0.00 0.00 +0.117 C ATOM 24 C LIG 1 -10.004 2.033 2.220 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -8.615 2.092 2.846 0.00 0.00 +0.087 C BRANCH 23 26 ATOM 26 O LIG 1 -11.082 1.955 0.084 0.00 0.00 -0.392 OA ATOM 27 H LIG 1 -11.073 2.304 -0.824 0.00 0.00 +0.210 HD ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 4 28 ATOM 28 C LIG 1 2.971 -1.518 -2.188 0.00 0.00 +0.054 C BRANCH 28 29 ATOM 29 C LIG 1 3.650 -0.656 -1.117 0.00 0.00 +0.107 C BRANCH 29 30 ATOM 30 N LIG 1 4.766 0.078 -1.704 0.00 0.00 -0.328 N ATOM 31 H LIG 1 5.390 -0.472 -2.288 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 5.461 0.921 -0.836 0.00 0.00 +0.134 A ATOM 33 C LIG 1 6.790 1.308 -1.065 0.00 0.00 +0.098 A ATOM 34 C LIG 1 7.354 2.168 -0.136 0.00 0.00 +0.234 A ATOM 35 O LIG 1 8.635 2.462 -0.486 0.00 0.00 -0.435 OA ATOM 36 C LIG 1 8.919 1.789 -1.642 0.00 0.00 +0.157 A ATOM 37 N LIG 1 6.777 2.671 0.961 0.00 0.00 -0.200 NA ATOM 38 C LIG 1 5.517 2.245 1.084 0.00 0.00 +0.227 A ATOM 39 C LIG 1 7.804 1.068 -2.033 0.00 0.00 +0.099 A ATOM 40 CL LIG 1 7.612 0.082 -3.409 0.00 0.00 -0.079 Cl ATOM 41 N LIG 1 4.845 1.415 0.266 0.00 0.00 -0.220 NA BRANCH 36 42 ATOM 42 C LIG 1 10.275 1.986 -2.152 0.00 0.00 +0.019 A ATOM 43 C LIG 1 10.958 3.188 -1.907 0.00 0.00 +0.011 A ATOM 44 C LIG 1 12.252 3.394 -2.394 0.00 0.00 +0.001 A ATOM 45 C LIG 1 12.886 2.396 -3.130 0.00 0.00 +0.000 A ATOM 46 C LIG 1 12.227 1.194 -3.376 0.00 0.00 +0.001 A ATOM 47 C LIG 1 10.932 0.991 -2.889 0.00 0.00 +0.011 A ENDBRANCH 36 42 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10