REMARK Name = BDB013571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.674 -3.507 -1.044 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.312 -2.956 -0.726 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.103 -2.037 0.319 0.00 0.00 -0.028 A ATOM 4 C LIG 1 1.197 -1.541 0.539 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.292 -1.918 -0.262 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.060 -2.838 -1.289 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.777 -3.345 -1.519 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.221 -1.544 1.212 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 -2.163 -0.617 0.536 0.00 0.00 -0.172 NA ATOM 10 S LIG 1 -1.646 0.996 0.483 0.00 0.00 +0.061 S ATOM 11 O LIG 1 -0.541 1.083 -0.448 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 -1.490 1.475 1.839 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -3.038 1.843 -0.245 0.00 0.00 +0.109 A ATOM 14 C LIG 1 -4.266 1.909 0.446 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -5.336 2.580 -0.164 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -5.176 3.159 -1.421 0.00 0.00 +0.124 A ATOM 17 C LIG 1 -3.964 3.091 -2.097 0.00 0.00 +0.040 A ATOM 18 F LIG 1 -6.211 3.792 -1.988 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -4.448 1.290 1.810 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -4.338 -0.248 1.868 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -3.835 -0.700 3.241 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -2.886 2.431 -1.509 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -3.594 -0.943 0.719 0.00 0.00 +0.113 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 24 ATOM 24 C LIG 1 3.663 -1.305 0.034 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.660 0.235 -0.004 0.00 0.00 -0.036 A ATOM 26 C LIG 1 3.204 1.014 -1.093 0.00 0.00 -0.045 A ATOM 27 C LIG 1 2.599 0.433 -2.344 0.00 0.00 +0.044 C ATOM 28 C LIG 1 3.231 2.420 -0.988 0.00 0.00 +0.022 A ATOM 29 C LIG 1 3.724 3.058 0.153 0.00 0.00 +0.052 A ATOM 30 C LIG 1 4.197 2.293 1.215 0.00 0.00 +0.019 A ATOM 31 C LIG 1 4.162 0.900 1.137 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 3.740 4.490 0.228 0.00 0.00 +0.099 C ATOM 33 N LIG 1 3.761 5.649 0.280 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 4.842 -1.865 -0.780 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 6.162 -1.504 -0.148 0.00 0.00 +0.306 C ATOM 36 O LIG 1 6.679 -2.152 0.749 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 6.726 -0.385 -0.649 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 6.166 0.092 -1.293 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 5 24 TORSDOF 8