REMARK Name = BDB032410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.421 -1.252 0.629 0.00 0.00 -0.019 A ATOM 2 C LIG 1 0.218 -2.003 -0.535 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -1.059 -2.446 -0.872 0.00 0.00 +0.128 A ATOM 4 F LIG 1 -1.215 -3.168 -1.992 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -2.168 -2.163 -0.072 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.960 -1.440 1.110 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.681 -0.987 1.455 0.00 0.00 +0.006 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.800 -0.790 1.031 0.00 0.00 +0.195 C BRANCH 8 9 ATOM 9 O LIG 1 2.544 -0.424 -0.130 0.00 0.00 -0.372 OA BRANCH 9 14 ATOM 10 C LIG 1 8.018 0.351 -0.816 0.00 0.00 +0.105 C ATOM 11 N LIG 1 6.586 0.126 -0.630 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 6.243 -0.185 0.770 0.00 0.00 +0.085 C ATOM 13 C LIG 1 4.812 -0.763 0.762 0.00 0.00 +0.052 C ATOM 14 C LIG 1 3.794 0.213 0.157 0.00 0.00 +0.122 C ATOM 15 C LIG 1 4.322 0.796 -1.160 0.00 0.00 +0.052 C ATOM 16 C LIG 1 6.344 1.027 1.736 0.00 0.00 +0.178 C ATOM 17 O LIG 1 6.648 2.267 1.091 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 5.876 2.509 -0.089 0.00 0.00 +0.178 C ATOM 19 C LIG 1 5.777 1.288 -1.045 0.00 0.00 +0.085 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 20 ATOM 20 C LIG 1 -3.517 -2.702 -0.477 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 -4.640 -1.959 0.100 0.00 0.00 -0.339 N ATOM 22 H LIG 1 -5.429 -2.579 0.263 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -5.103 -0.752 -0.468 0.00 0.00 +0.035 A ATOM 24 C LIG 1 -6.278 -0.130 0.066 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -6.747 1.089 -0.486 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -7.917 1.662 0.061 0.00 0.00 +0.124 A ATOM 27 N LIG 1 -8.621 1.119 1.069 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 -8.151 -0.028 1.590 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -6.031 1.681 -1.545 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.861 1.107 -2.027 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -7.011 -0.670 1.140 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -4.396 -0.086 -1.482 0.00 0.00 +0.023 A BRANCH 26 33 ATOM 33 N LIG 1 -8.442 2.870 -0.415 0.00 0.00 -0.343 N ATOM 34 H LIG 1 -7.749 3.607 -0.344 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 -9.252 3.068 0.169 0.00 0.00 +0.144 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 7