REMARK Name = BDB027449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.523 0.220 1.524 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.436 1.027 0.899 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.075 2.360 0.670 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.127 2.908 0.964 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.060 2.101 1.519 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.783 0.770 1.824 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.371 2.724 1.778 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.455 4.063 2.206 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.691 4.659 2.442 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.739 5.934 2.852 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.865 3.944 2.248 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.055 4.523 2.465 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.818 2.624 1.822 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.578 2.018 1.589 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.698 0.495 0.566 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.011 0.597 -0.890 0.00 0.00 +0.131 C ATOM 17 C LIG 1 3.543 0.367 -1.220 0.00 0.00 +0.059 C ATOM 18 C LIG 1 4.151 -0.499 -0.087 0.00 0.00 +0.030 C ATOM 19 C LIG 1 3.986 0.119 1.310 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.761 1.025 1.433 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 3.680 -0.232 -2.623 0.00 0.00 -0.008 A ATOM 22 C LIG 1 4.357 -1.424 -2.882 0.00 0.00 +0.116 A ATOM 23 N LIG 1 4.503 -1.979 -4.109 0.00 0.00 -0.263 NA ATOM 24 C LIG 1 3.944 -1.327 -5.147 0.00 0.00 +0.111 A ATOM 25 C LIG 1 3.251 -0.139 -5.016 0.00 0.00 +0.020 A ATOM 26 C LIG 1 3.121 0.411 -3.742 0.00 0.00 +0.008 A ENDBRANCH 17 21 BRANCH 17 27 ATOM 27 N LIG 1 4.288 1.653 -1.188 0.00 0.00 -0.320 NA ATOM 28 H LIG 1 5.262 1.474 -1.442 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 3.928 2.280 -1.905 0.00 0.00 +0.119 HD ENDBRANCH 17 27 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.250 -1.222 1.873 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -3.256 -4.163 -0.533 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -2.058 -3.478 -0.268 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -0.838 -3.453 -0.914 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -0.097 -2.632 -0.198 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -0.784 -2.124 0.872 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.038 -2.671 0.858 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -3.039 -2.475 1.734 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -4.127 -3.193 1.385 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -4.291 -4.013 0.325 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -3.424 -5.004 -1.624 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -2.547 -5.345 -2.002 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.170 -5.671 -1.484 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7