REMARK Name = BDB027215 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.460 0.155 -0.452 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.252 0.200 0.266 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.104 1.261 1.166 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.014 2.239 1.387 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.163 2.199 0.677 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.408 1.180 -0.244 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.120 3.292 0.954 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.163 3.894 2.228 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.058 4.925 2.506 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.073 5.471 3.730 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.925 5.384 1.526 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.785 6.377 1.793 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.906 4.821 0.258 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.008 3.784 -0.026 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.725 -0.798 0.086 0.00 0.00 -0.327 N ATOM 16 C LIG 1 2.121 -0.319 0.023 0.00 0.00 +0.129 C ATOM 17 C LIG 1 3.009 -1.440 -0.611 0.00 0.00 +0.056 C ATOM 18 C LIG 1 2.593 -2.842 -0.093 0.00 0.00 +0.027 C ATOM 19 C LIG 1 1.805 -2.749 1.211 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.523 -1.923 1.034 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 2.843 -1.455 -2.090 0.00 0.00 -0.322 NA ATOM 22 H LIG 1 1.841 -1.381 -2.278 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.253 -0.590 -2.451 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 4.494 -1.157 -0.280 0.00 0.00 +0.183 C BRANCH 24 25 ATOM 25 O LIG 1 4.842 0.167 -0.704 0.00 0.00 -0.375 OA BRANCH 25 26 ATOM 26 C LIG 1 6.233 0.521 -0.564 0.00 0.00 +0.118 C ATOM 27 C LIG 1 6.726 0.838 0.870 0.00 0.00 +0.032 C ATOM 28 C LIG 1 7.575 1.968 0.260 0.00 0.00 +0.005 C ATOM 29 C LIG 1 6.579 1.990 -0.914 0.00 0.00 +0.032 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -1.696 -0.909 -1.503 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -5.743 -3.253 -0.221 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -4.919 -2.444 -1.021 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -5.135 -1.790 -2.219 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -3.991 -1.197 -2.487 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -3.057 -1.420 -1.509 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -3.623 -2.243 -0.574 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -3.060 -2.744 0.537 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -3.940 -3.507 1.217 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -5.223 -3.793 0.904 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -7.064 -3.544 -0.539 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -7.280 -3.413 -1.521 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -7.385 -4.393 -0.093 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 9