REMARK Name = BDB024433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.592 -0.537 0.555 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.750 -1.985 0.102 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.475 -2.281 -1.064 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.637 -3.602 -1.481 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.085 -4.643 -0.737 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.378 -4.364 0.432 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.216 -3.044 0.854 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.095 -0.188 0.839 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.695 -0.330 -0.289 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.285 -0.714 -1.132 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.313 0.212 1.927 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.059 -0.092 -0.433 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.516 -0.359 -1.674 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.837 -0.159 -1.913 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.750 0.304 -0.971 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.245 0.572 0.301 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.888 0.374 0.575 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.151 0.485 -1.306 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.032 1.316 -0.643 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.232 1.199 -1.284 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.463 1.876 -0.957 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.199 0.352 -2.327 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.936 -0.082 -2.339 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.475 -0.303 1.721 0.00 0.00 -0.300 NA ATOM 25 H LIG 1 -3.386 -0.704 1.483 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.665 1.111 2.074 0.00 0.00 +0.105 C BRANCH 26 27 ATOM 27 C LIG 1 -3.355 2.019 1.045 0.00 0.00 +0.159 C BRANCH 27 30 ATOM 28 C LIG 1 -6.093 2.636 2.368 0.00 0.00 +0.065 C ATOM 29 C LIG 1 -5.881 1.774 1.180 0.00 0.00 +0.037 A ATOM 30 N LIG 1 -4.652 1.526 0.619 0.00 0.00 -0.266 N ATOM 31 N LIG 1 -4.714 0.715 -0.460 0.00 0.00 -0.160 NA ATOM 32 C LIG 1 -6.016 0.431 -0.578 0.00 0.00 +0.162 A ATOM 33 C LIG 1 -6.787 1.065 0.415 0.00 0.00 +0.063 A BRANCH 32 34 ATOM 34 C LIG 1 -6.471 -0.431 -1.630 0.00 0.00 +0.121 C ATOM 35 N LIG 1 -6.862 -1.127 -2.475 0.00 0.00 -0.189 NA ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9