REMARK Name = BDB060613 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.253 1.331 0.710 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -0.773 0.464 0.309 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.116 0.844 0.432 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.426 2.101 0.964 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.414 2.972 1.360 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.081 2.588 1.229 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.213 -0.165 0.248 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.630 1.034 0.613 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.255 1.767 0.922 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.643 -1.225 0.025 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.518 -0.185 0.074 0.00 0.00 +0.034 A ATOM 12 C LIG 1 5.802 -1.321 0.473 0.00 0.00 +0.024 A ATOM 13 C LIG 1 4.404 -1.303 0.523 0.00 0.00 +0.015 A ATOM 14 C LIG 1 3.703 -0.143 0.180 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.411 0.986 -0.242 0.00 0.00 +0.015 A ATOM 16 C LIG 1 5.811 0.964 -0.288 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 8.830 0.704 -0.274 0.00 0.00 +0.241 C ATOM 18 N LIG 1 7.925 -0.286 0.053 0.00 0.00 -0.282 N ATOM 19 H LIG 1 8.300 -1.187 0.317 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 8.581 1.859 -0.592 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 11.262 1.037 -0.461 0.00 0.00 +0.013 C ATOM 22 C LIG 1 10.238 0.215 -0.194 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 N LIG 1 -3.204 0.039 0.051 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -4.140 0.409 0.199 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -3.193 -1.219 -0.520 0.00 0.00 +0.267 C ATOM 26 O LIG 1 -2.220 -1.896 -0.822 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -4.574 -1.748 -0.772 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -5.603 -0.917 -0.436 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 -6.856 -1.377 -0.649 0.00 0.00 +0.089 A ATOM 30 C LIG 1 -7.117 -2.633 -1.192 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -6.045 -3.460 -1.528 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.747 -3.014 -1.315 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -7.900 -0.436 -0.266 0.00 0.00 +0.084 A ATOM 34 N LIG 1 -9.221 -0.764 -0.093 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -9.658 -1.673 -0.188 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -10.006 0.269 0.258 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -9.157 1.295 0.333 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -7.840 0.916 0.024 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 3 23 TORSDOF 7