REMARK Name = BDB049601 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.067 -1.544 0.220 0.00 0.00 +0.052 A ATOM 2 C LIG 1 1.782 -2.901 -0.128 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.616 -2.902 -0.882 0.00 0.00 +0.142 A ATOM 4 N LIG 1 0.013 -3.974 -1.440 0.00 0.00 -0.237 NA ATOM 5 C LIG 1 0.655 -5.138 -1.194 0.00 0.00 +0.113 A ATOM 6 C LIG 1 1.819 -5.279 -0.453 0.00 0.00 +0.020 A ATOM 7 N LIG 1 0.161 -1.607 -0.960 0.00 0.00 -0.324 N ATOM 8 C LIG 1 2.408 -4.141 0.095 0.00 0.00 +0.014 A ATOM 9 C LIG 1 1.022 -0.762 -0.276 0.00 0.00 +0.029 A ATOM 10 C LIG 1 0.756 0.700 -0.132 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.225 -1.101 0.992 0.00 0.00 +0.195 C ATOM 12 O LIG 1 3.596 -1.697 2.000 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 5.541 2.301 -0.253 0.00 0.00 +0.120 A ATOM 14 C LIG 1 4.876 1.524 -1.206 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.118 0.414 -0.823 0.00 0.00 +0.015 A ATOM 16 C LIG 1 4.010 0.079 0.531 0.00 0.00 +0.023 A ATOM 17 C LIG 1 4.691 0.845 1.485 0.00 0.00 +0.015 A ATOM 18 C LIG 1 5.449 1.955 1.095 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 6.959 4.165 0.158 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.242 3.356 -0.767 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 C LIG 1 -1.030 -1.220 -1.714 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -2.249 -1.052 -0.837 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -2.913 0.186 -0.777 0.00 0.00 +0.054 A ATOM 24 C LIG 1 -4.055 0.366 0.015 0.00 0.00 +0.157 A ATOM 25 C LIG 1 -4.539 -0.721 0.743 0.00 0.00 +0.165 A ATOM 26 F LIG 1 -5.630 -0.621 1.517 0.00 0.00 -0.202 F ATOM 27 C LIG 1 -3.904 -1.959 0.687 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -2.766 -2.127 -0.102 0.00 0.00 +0.008 A BRANCH 24 29 ATOM 29 O LIG 1 -4.565 1.635 -0.036 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.722 1.948 0.738 0.00 0.00 +0.278 C ATOM 31 C LIG 1 -5.800 3.473 0.786 0.00 0.00 +0.064 C BRANCH 30 32 ATOM 32 C LIG 1 -7.023 1.416 0.133 0.00 0.00 +0.346 C ATOM 33 O LIG 1 -7.172 0.867 -0.947 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.090 1.605 0.941 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -8.829 1.192 0.445 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 9