REMARK Name = BDB063065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.029 0.344 -1.696 0.00 0.00 +0.056 A ATOM 2 C LIG 1 1.214 1.588 -2.313 0.00 0.00 +0.056 A ATOM 3 CL LIG 1 -0.087 2.563 -2.896 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 2.507 2.084 -2.502 0.00 0.00 +0.059 A ATOM 5 C LIG 1 3.611 1.343 -2.083 0.00 0.00 +0.137 A ATOM 6 F LIG 1 4.829 1.869 -2.286 0.00 0.00 -0.205 F ATOM 7 C LIG 1 3.454 0.100 -1.472 0.00 0.00 +0.073 A ATOM 8 C LIG 1 2.155 -0.396 -1.286 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 -1.268 0.547 -0.952 0.00 0.00 -0.266 N ATOM 10 H LIG 1 -1.033 1.519 -0.828 0.00 0.00 +0.157 HD ATOM 11 C LIG 1 -0.299 -0.288 -1.466 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -0.385 -1.484 -1.715 0.00 0.00 -0.270 OA BRANCH 9 15 ATOM 13 C LIG 1 -3.091 2.584 0.030 0.00 0.00 +0.047 C ATOM 14 C LIG 1 -3.467 1.141 -0.140 0.00 0.00 -0.009 A ATOM 15 C LIG 1 -2.582 0.172 -0.624 0.00 0.00 +0.128 A ATOM 16 N LIG 1 -2.959 -1.106 -0.783 0.00 0.00 -0.238 NA ATOM 17 C LIG 1 -4.230 -1.451 -0.463 0.00 0.00 +0.136 A ATOM 18 C LIG 1 -5.199 -0.588 0.041 0.00 0.00 +0.049 A ATOM 19 C LIG 1 -4.777 0.738 0.182 0.00 0.00 +0.031 A BRANCH 18 20 ATOM 20 N LIG 1 -6.517 -0.949 0.359 0.00 0.00 -0.324 N ATOM 21 C LIG 1 -6.894 -0.678 1.769 0.00 0.00 +0.133 C ATOM 22 C LIG 1 -8.404 -0.895 1.962 0.00 0.00 +0.178 C ATOM 23 O LIG 1 -8.809 -2.212 1.560 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -8.494 -2.421 0.174 0.00 0.00 +0.178 C ATOM 25 C LIG 1 -6.986 -2.283 -0.084 0.00 0.00 +0.133 C ENDBRANCH 18 20 ENDBRANCH 9 15 ENDBRANCH 1 11 BRANCH 7 26 ATOM 26 C LIG 1 4.603 -0.719 -0.994 0.00 0.00 +0.247 C ATOM 27 N LIG 1 5.868 -0.304 -1.339 0.00 0.00 -0.307 N ATOM 28 H LIG 1 5.994 0.579 -1.818 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 4.392 -1.716 -0.311 0.00 0.00 -0.270 OA BRANCH 27 30 ATOM 30 C LIG 1 7.052 -0.959 -0.831 0.00 0.00 +0.140 C BRANCH 30 31 ATOM 31 C LIG 1 7.618 -0.197 0.340 0.00 0.00 -0.027 A ATOM 32 C LIG 1 7.070 -0.368 1.622 0.00 0.00 +0.046 A ATOM 33 C LIG 1 7.574 0.357 2.698 0.00 0.00 +0.159 A ATOM 34 F LIG 1 7.040 0.185 3.915 0.00 0.00 -0.202 F ATOM 35 C LIG 1 8.617 1.255 2.512 0.00 0.00 +0.158 A ATOM 36 F LIG 1 9.100 1.954 3.549 0.00 0.00 -0.202 F ATOM 37 C LIG 1 9.168 1.442 1.249 0.00 0.00 +0.041 A ATOM 38 C LIG 1 8.667 0.720 0.163 0.00 0.00 +0.008 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 7 26 TORSDOF 6