REMARK Name = BDB006194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.025 0.924 0.473 0.00 0.00 -0.232 N ATOM 2 C LIG 1 1.163 -0.045 -0.079 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.088 0.321 0.382 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.530 -0.054 0.381 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.137 1.096 1.128 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.175 2.069 1.502 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.328 3.116 2.110 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.081 1.540 1.020 0.00 0.00 +0.154 A ATOM 9 N LIG 1 1.327 1.988 0.988 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.538 1.179 1.410 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -4.386 0.061 1.303 0.00 0.00 +0.148 A ATOM 12 F LIG 1 -3.899 -1.149 1.002 0.00 0.00 -0.203 F ATOM 13 C LIG 1 -5.755 0.138 1.554 0.00 0.00 +0.080 A ATOM 14 C LIG 1 -6.310 1.351 1.925 0.00 0.00 +0.144 A ATOM 15 F LIG 1 -7.628 1.413 2.163 0.00 0.00 -0.204 F ATOM 16 C LIG 1 -5.507 2.479 2.049 0.00 0.00 +0.078 A ATOM 17 CL LIG 1 -6.193 3.991 2.504 0.00 0.00 -0.081 Cl ATOM 18 C LIG 1 -4.132 2.393 1.796 0.00 0.00 +0.049 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.957 -0.141 -1.081 0.00 0.00 -0.019 A ATOM 20 C LIG 1 -2.212 -1.386 -1.710 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.090 -2.704 -0.991 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -2.633 -1.412 -3.054 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -2.776 -0.234 -3.781 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -3.283 -0.297 -5.424 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.511 0.991 -3.186 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.107 1.037 -1.851 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 28 ATOM 27 C LIG 1 4.203 -0.072 1.034 0.00 0.00 +0.145 A ATOM 28 C LIG 1 3.438 0.982 0.513 0.00 0.00 +0.107 A ATOM 29 C LIG 1 4.056 2.170 0.089 0.00 0.00 +0.031 A ATOM 30 C LIG 1 5.445 2.272 0.087 0.00 0.00 +0.002 A ATOM 31 C LIG 1 6.215 1.200 0.530 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.599 0.039 1.009 0.00 0.00 +0.048 A BRANCH 27 34 ATOM 33 C LIG 1 4.278 -2.006 2.428 0.00 0.00 +0.277 C ATOM 34 O LIG 1 3.530 -1.115 1.609 0.00 0.00 -0.493 OA ENDBRANCH 27 34 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 1.515 -1.127 -1.073 0.00 0.00 +0.032 C ATOM 36 C LIG 1 1.806 -2.485 -0.443 0.00 0.00 +0.014 C ATOM 37 C LIG 1 2.578 -0.734 -2.097 0.00 0.00 +0.014 C ENDBRANCH 2 35 TORSDOF 5