REMARK Name = BDB010709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.530 -0.934 0.253 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.189 -0.575 0.383 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.544 -1.402 -0.452 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.418 -2.047 -1.206 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.162 -2.883 -2.225 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.160 -3.027 -2.427 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.171 -2.476 -1.728 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.893 -1.655 -0.697 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.671 -1.758 -0.777 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.043 -0.161 1.384 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.970 -0.586 0.590 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.666 -0.474 1.071 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.385 0.021 2.297 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 3.429 0.422 3.054 0.00 0.00 +0.112 A ATOM 15 C LIG 1 4.752 0.355 2.648 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.305 -1.215 1.733 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.463 -0.276 0.866 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.129 1.098 0.746 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.519 -3.946 -3.564 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -2.647 -4.239 -3.922 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -0.397 -4.433 -4.168 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 0.407 -4.076 -3.723 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.920 -1.125 0.083 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.719 -1.309 1.062 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.298 -1.485 -0.281 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.770 -0.608 -1.444 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -5.216 -1.233 0.924 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.045 -2.190 2.139 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.571 -2.099 2.334 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -6.671 -1.775 0.831 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 -0.355 0.497 1.199 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -0.369 1.919 0.585 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -1.261 2.063 -0.665 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -0.457 2.192 -1.955 0.00 0.00 +0.006 C ATOM 35 C LIG 1 0.490 3.409 -1.934 0.00 0.00 +0.020 C ATOM 36 C LIG 1 0.965 3.759 -0.514 0.00 0.00 +0.006 C ATOM 37 C LIG 1 1.034 2.514 0.366 0.00 0.00 +0.005 C BRANCH 35 38 ATOM 38 C LIG 1 -0.147 4.631 -2.594 0.00 0.00 +0.216 C ATOM 39 F LIG 1 -0.416 4.345 -3.896 0.00 0.00 -0.249 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10