REMARK Name = BDB035371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.613 -1.508 -1.042 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.032 -1.244 0.202 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.518 -0.867 1.252 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.406 -1.506 0.069 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.393 -1.382 1.030 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.715 -1.671 0.663 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.982 -2.092 -0.662 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.964 -2.220 -1.630 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.667 -1.914 -1.233 0.00 0.00 -0.009 A ATOM 10 C LIG 1 -0.386 -1.962 -2.001 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.317 -0.813 -0.785 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.943 -0.925 -0.462 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.990 -1.395 -1.379 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.442 -1.753 -2.656 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.792 -1.655 -2.998 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.723 -1.191 -2.070 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.269 -0.276 0.288 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 5.082 1.183 0.615 0.00 0.00 +0.141 A ATOM 19 N LIG 1 4.836 2.224 -0.248 0.00 0.00 -0.320 N ATOM 20 C LIG 1 4.686 2.209 -1.678 0.00 0.00 +0.151 C ATOM 21 C LIG 1 4.750 3.344 0.523 0.00 0.00 +0.224 A ATOM 22 N LIG 1 4.930 3.030 1.781 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 5.133 1.676 1.841 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 8.844 -0.243 0.122 0.00 0.00 +0.118 C ATOM 25 C LIG 1 7.704 0.141 -0.853 0.00 0.00 +0.036 C ATOM 26 C LIG 1 6.737 -0.676 0.056 0.00 0.00 +0.009 C ATOM 27 C LIG 1 7.750 -0.392 1.207 0.00 0.00 +0.036 C BRANCH 24 29 ATOM 28 C LIG 1 10.774 0.530 1.368 0.00 0.00 +0.194 C ATOM 29 O LIG 1 9.842 0.777 0.325 0.00 0.00 -0.380 OA ENDBRANCH 24 29 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.304 -2.633 -3.035 0.00 0.00 +0.372 C ATOM 31 F LIG 1 -2.229 -3.087 -3.739 0.00 0.00 -0.204 F ATOM 32 F LIG 1 -4.225 -3.634 -3.082 0.00 0.00 -0.204 F ENDBRANCH 8 30 BRANCH 6 33 ATOM 33 C LIG 1 -4.835 -1.554 1.679 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -5.471 -0.242 1.811 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -6.280 0.213 0.658 0.00 0.00 +0.074 C ATOM 36 C LIG 1 -5.723 1.548 0.073 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -5.711 2.659 1.042 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -4.899 3.768 0.551 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -5.266 2.201 2.376 0.00 0.00 +0.099 C ATOM 40 C LIG 1 -4.612 0.800 2.390 0.00 0.00 +0.100 C BRANCH 35 41 ATOM 41 C LIG 1 -7.783 0.304 1.082 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -8.319 -1.048 1.577 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -8.681 0.790 -0.063 0.00 0.00 +0.009 C ENDBRANCH 35 41 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9