REMARK Name = BDB004852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.864 -0.005 0.406 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.454 0.087 -0.372 0.00 0.00 -0.030 C ATOM 3 C LIG 1 1.679 -0.026 0.413 0.00 0.00 +0.024 C ATOM 4 C LIG 1 2.902 0.224 -0.091 0.00 0.00 +0.011 C ATOM 5 C LIG 1 3.077 0.603 -1.543 0.00 0.00 +0.055 C ATOM 6 C LIG 1 1.855 0.327 -2.436 0.00 0.00 +0.033 C ATOM 7 C LIG 1 0.549 0.227 -1.709 0.00 0.00 -0.021 C BRANCH 4 8 ATOM 8 N LIG 1 4.000 0.132 0.748 0.00 0.00 -0.285 N ATOM 9 H LIG 1 3.807 -0.177 1.696 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 5.318 0.449 0.457 0.00 0.00 +0.251 C ATOM 11 O LIG 1 5.715 0.901 -0.613 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 6.320 0.231 1.546 0.00 0.00 +0.072 A ATOM 13 C LIG 1 5.981 -0.243 2.816 0.00 0.00 +0.135 A ATOM 14 F LIG 1 4.708 -0.534 3.130 0.00 0.00 -0.205 F ATOM 15 C LIG 1 6.952 -0.433 3.800 0.00 0.00 +0.039 A ATOM 16 C LIG 1 8.287 -0.147 3.523 0.00 0.00 +0.003 A ATOM 17 C LIG 1 8.646 0.327 2.262 0.00 0.00 +0.001 A ATOM 18 C LIG 1 7.669 0.515 1.280 0.00 0.00 +0.016 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -1.895 -0.625 -0.447 0.00 0.00 -0.322 N ATOM 20 H LIG 1 -1.466 -1.328 -1.046 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -3.001 -1.231 0.184 0.00 0.00 +0.130 A ATOM 22 C LIG 1 -4.010 -1.811 -0.615 0.00 0.00 +0.041 A ATOM 23 C LIG 1 -5.082 -2.423 0.065 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -6.092 -3.022 -0.716 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -6.034 -3.011 -2.124 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -4.983 -2.393 -2.782 0.00 0.00 +0.002 A ATOM 27 N LIG 1 -5.118 -2.429 1.417 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 -4.118 -1.830 2.073 0.00 0.00 +0.223 A ATOM 29 C LIG 1 -3.982 -1.792 -2.032 0.00 0.00 +0.013 A ATOM 30 N LIG 1 -3.064 -1.232 1.523 0.00 0.00 -0.220 NA BRANCH 24 31 ATOM 31 C LIG 1 -7.282 -3.713 -0.127 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -8.086 -4.318 -0.829 0.00 0.00 -0.270 OA ATOM 33 N LIG 1 -7.462 -3.666 1.223 0.00 0.00 -0.325 N ATOM 34 H LIG 1 -8.223 -4.190 1.630 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -6.748 -3.265 1.824 0.00 0.00 +0.145 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 36 ATOM 36 C LIG 1 -1.320 1.353 0.986 0.00 0.00 +0.042 C BRANCH 36 37 ATOM 37 C LIG 1 -1.810 2.414 -0.016 0.00 0.00 +0.086 C BRANCH 37 39 ATOM 38 C LIG 1 0.139 3.880 -0.103 0.00 0.00 +0.104 C ATOM 39 N LIG 1 -0.779 3.033 -0.863 0.00 0.00 -0.308 NA ATOM 40 C LIG 1 -1.402 3.806 -1.936 0.00 0.00 +0.104 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 9