REMARK Name = BDB029280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.853 -0.401 2.036 0.00 0.00 +0.195 C ATOM 2 C LIG 1 1.571 -1.300 1.031 0.00 0.00 +0.252 C ATOM 3 O LIG 1 0.557 -1.790 0.119 0.00 0.00 -0.345 OA ATOM 4 C LIG 1 -0.676 -1.050 0.348 0.00 0.00 +0.185 C ATOM 5 C LIG 1 -0.294 0.157 1.207 0.00 0.00 +0.179 C ENDROOT BRANCH 2 6 ATOM 6 N LIG 1 2.635 -0.629 0.293 0.00 0.00 -0.303 N ATOM 7 C LIG 1 3.840 -0.291 0.862 0.00 0.00 +0.146 A ATOM 8 C LIG 1 4.618 0.329 -0.106 0.00 0.00 +0.041 A ATOM 9 C LIG 1 5.897 0.760 0.285 0.00 0.00 +0.068 A ATOM 10 N LIG 1 6.280 0.538 1.578 0.00 0.00 -0.238 NA ATOM 11 C LIG 1 5.417 -0.071 2.414 0.00 0.00 +0.223 A ATOM 12 C LIG 1 3.846 0.353 -1.298 0.00 0.00 +0.031 A ATOM 13 N LIG 1 4.183 -0.521 2.141 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 2.637 -0.251 -1.027 0.00 0.00 +0.091 A BRANCH 9 15 ATOM 15 C LIG 1 6.872 1.442 -0.627 0.00 0.00 +0.164 C ATOM 16 CL LIG 1 6.415 3.140 -0.892 0.00 0.00 -0.119 Cl ENDBRANCH 9 15 ENDBRANCH 2 6 BRANCH 1 17 ATOM 17 O LIG 1 0.286 -1.149 3.139 0.00 0.00 -0.385 OA ATOM 18 H LIG 1 0.117 -2.062 2.841 0.00 0.00 +0.210 HD ENDBRANCH 1 17 BRANCH 5 19 ATOM 19 O LIG 1 -1.355 0.608 2.043 0.00 0.00 -0.386 OA ATOM 20 H LIG 1 -1.238 0.154 2.904 0.00 0.00 +0.210 HD ENDBRANCH 5 19 BRANCH 4 21 ATOM 21 C LIG 1 -1.342 -0.728 -1.009 0.00 0.00 +0.176 C BRANCH 21 22 ATOM 22 C LIG 1 -2.838 -0.499 -0.921 0.00 0.00 -0.016 A ATOM 23 C LIG 1 -3.360 0.718 -0.450 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -4.727 0.853 -0.395 0.00 0.00 -0.044 A ATOM 25 C LIG 1 -5.842 1.786 -0.024 0.00 0.00 +0.040 C ATOM 26 C LIG 1 -6.812 0.641 -0.467 0.00 0.00 +0.040 C ATOM 27 C LIG 1 -5.577 -0.152 -0.779 0.00 0.00 -0.044 A ATOM 28 C LIG 1 -5.115 -1.359 -1.243 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -3.729 -1.531 -1.312 0.00 0.00 +0.006 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 O LIG 1 -0.706 0.376 -1.661 0.00 0.00 -0.385 OA ATOM 31 H LIG 1 -1.347 0.738 -2.298 0.00 0.00 +0.210 HD ENDBRANCH 21 30 ENDBRANCH 4 21 TORSDOF 7