REMARK Name = BDB025703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.454 -0.048 -0.216 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.932 -1.383 -0.210 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.000 -2.410 -0.051 0.00 0.00 +0.064 A ATOM 4 C LIG 1 1.356 -2.122 0.109 0.00 0.00 +0.133 A ATOM 5 F LIG 1 2.193 -3.157 0.282 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.849 -0.809 0.115 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.911 0.225 -0.058 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.316 -1.618 -0.324 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.063 -1.453 0.949 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.858 -2.723 1.371 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.907 -3.774 1.970 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.763 -3.225 0.306 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.306 -4.551 0.554 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.298 -2.927 -1.072 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.768 -3.897 -2.164 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.758 -2.735 -1.180 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 3.280 -0.516 0.288 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.759 0.530 1.052 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.068 0.824 1.227 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.973 0.048 0.613 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.615 -0.997 -0.150 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 4.293 -1.252 -0.292 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.316 0.310 0.794 0.00 0.00 -0.295 N ATOM 24 C LIG 1 8.251 -0.385 -0.094 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.686 0.067 0.216 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.898 1.478 0.041 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.712 2.263 0.250 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.722 1.643 1.250 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 30 ATOM 29 C LIG 1 -1.274 2.321 -0.376 0.00 0.00 +0.248 C ATOM 30 N LIG 1 -1.423 0.953 -0.441 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.345 0.562 -0.609 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 -0.266 2.925 -0.029 0.00 0.00 -0.270 OA BRANCH 29 35 ATOM 33 C LIG 1 -3.849 5.087 -0.361 0.00 0.00 +0.121 A ATOM 34 C LIG 1 -2.717 4.320 -0.072 0.00 0.00 +0.058 A ATOM 35 C LIG 1 -2.496 3.101 -0.724 0.00 0.00 +0.040 A ATOM 36 C LIG 1 -3.404 2.659 -1.693 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -4.534 3.423 -1.984 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -4.759 4.631 -1.317 0.00 0.00 +0.045 A BRANCH 33 40 ATOM 39 C LIG 1 -5.059 7.090 0.067 0.00 0.00 +0.277 C ATOM 40 O LIG 1 -3.951 6.247 0.355 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 29 35 ENDBRANCH 1 30 TORSDOF 6