REMARK Name = BDB032163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.515 -0.065 0.967 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.456 0.781 0.656 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.357 1.974 0.859 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.421 -0.042 0.024 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.843 -1.364 0.069 0.00 0.00 +0.017 A ATOM 6 C LIG 1 2.039 -2.350 -0.453 0.00 0.00 +0.129 A ATOM 7 C LIG 1 0.814 -2.006 -1.027 0.00 0.00 +0.045 A ATOM 8 C LIG 1 0.393 -0.657 -1.079 0.00 0.00 -0.007 A ATOM 9 F LIG 1 2.422 -3.632 -0.406 0.00 0.00 -0.205 F ATOM 10 C LIG 1 1.212 0.343 -0.531 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.157 -1.469 0.754 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 8.983 -0.489 -0.491 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.062 -0.148 0.245 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.750 -0.878 1.364 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.330 -1.690 1.528 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.609 -0.793 2.126 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.332 -1.687 2.924 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.644 0.359 1.802 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.447 1.510 1.185 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.178 1.036 -0.061 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 -0.947 -0.302 -1.671 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 -1.903 -0.322 -0.609 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.168 -0.033 -1.009 0.00 0.00 +0.405 C ATOM 24 N LIG 1 -3.979 -0.078 0.089 0.00 0.00 -0.251 N ATOM 25 H LIG 1 -3.482 -0.302 0.942 0.00 0.00 +0.158 HD ATOM 26 O LIG 1 -3.475 0.219 -2.163 0.00 0.00 -0.226 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.365 0.143 0.164 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -6.167 0.446 -0.940 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -7.546 0.661 -0.796 0.00 0.00 +0.130 A ATOM 30 C LIG 1 -8.131 0.554 0.464 0.00 0.00 +0.066 A ATOM 31 C LIG 1 -7.333 0.251 1.566 0.00 0.00 +0.046 A ATOM 32 CL LIG 1 -8.052 0.121 3.126 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -5.960 0.049 1.425 0.00 0.00 +0.043 A BRANCH 29 34 ATOM 34 O LIG 1 -8.200 0.945 -1.964 0.00 0.00 -0.434 OA BRANCH 34 35 ATOM 35 C LIG 1 -9.521 1.448 -1.855 0.00 0.00 +0.541 C ATOM 36 F LIG 1 -10.349 0.449 -1.463 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -9.919 1.817 -3.098 0.00 0.00 -0.166 F ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7