REMARK Name = BDB060935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.328 0.946 -0.289 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -1.173 -0.100 -0.650 0.00 0.00 +0.126 A ATOM 3 N LIG 1 -2.455 0.405 -0.437 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -2.311 1.717 -0.005 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -3.493 2.462 0.268 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -4.718 1.907 0.114 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.820 0.513 -0.340 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.707 -0.193 -0.602 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -1.049 2.059 0.091 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.912 2.647 0.388 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.939 2.901 -0.491 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -7.207 2.575 -1.905 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.895 3.633 0.143 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.506 3.877 1.447 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.314 3.284 1.591 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.610 3.347 2.894 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -0.980 -1.381 -1.087 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -1.780 -1.995 -1.207 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 0.182 -1.779 -1.885 0.00 0.00 +0.072 C ATOM 20 C LIG 1 -0.275 -2.674 -3.047 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -0.830 -4.031 -2.602 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -0.208 -4.557 -1.310 0.00 0.00 +0.000 C ATOM 23 C LIG 1 1.198 -4.018 -1.102 0.00 0.00 +0.002 C ATOM 24 C LIG 1 1.214 -2.491 -0.993 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 1.158 1.023 -0.195 0.00 0.00 +0.063 C BRANCH 25 26 ATOM 26 C LIG 1 1.646 0.739 1.229 0.00 0.00 +0.041 C BRANCH 26 31 ATOM 27 C LIG 1 5.978 0.760 1.454 0.00 0.00 +0.139 A ATOM 28 C LIG 1 5.251 1.961 1.456 0.00 0.00 +0.083 A ATOM 29 CL LIG 1 6.047 3.496 1.536 0.00 0.00 -0.080 Cl ATOM 30 C LIG 1 3.854 1.956 1.387 0.00 0.00 +0.027 A ATOM 31 C LIG 1 3.152 0.746 1.321 0.00 0.00 -0.045 A ATOM 32 C LIG 1 3.874 -0.452 1.323 0.00 0.00 +0.007 A ATOM 33 C LIG 1 5.273 -0.446 1.393 0.00 0.00 +0.047 A BRANCH 27 34 ATOM 34 O LIG 1 7.341 0.866 1.532 0.00 0.00 -0.491 OA BRANCH 34 36 ATOM 35 C LIG 1 8.438 -0.979 2.654 0.00 0.00 +0.048 C ATOM 36 C LIG 1 8.151 -0.290 1.332 0.00 0.00 +0.226 C ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8