REMARK Name = BDB060615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.832 1.228 -0.635 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.427 0.208 0.234 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.916 -0.184 0.310 0.00 0.00 +0.025 A ATOM 4 C LIG 1 1.879 0.438 -0.482 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.474 1.453 -1.355 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.131 1.845 -1.431 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.822 2.549 -1.391 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -2.203 1.558 -0.648 0.00 0.00 -0.282 N ATOM 9 H LIG 1 -2.778 1.032 -0.003 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.275 3.353 -2.137 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -6.475 1.658 -0.763 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -5.095 1.526 -0.935 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -4.302 2.649 -1.216 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.904 3.903 -1.367 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -6.282 4.039 -1.216 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -7.062 2.921 -0.913 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -6.967 -0.720 -0.142 0.00 0.00 +0.217 C ATOM 18 N LIG 1 -7.332 0.581 -0.456 0.00 0.00 -0.285 N ATOM 19 H LIG 1 -8.321 0.797 -0.411 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -5.822 -1.146 -0.044 0.00 0.00 -0.275 OA BRANCH 17 22 ATOM 21 C LIG 1 -7.818 -3.034 0.418 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -8.187 -1.597 0.095 0.00 0.00 +0.093 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 3.248 0.101 -0.474 0.00 0.00 -0.280 N ATOM 24 H LIG 1 3.833 0.645 -1.095 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 3.884 -0.816 0.351 0.00 0.00 +0.267 C ATOM 26 O LIG 1 3.376 -1.456 1.264 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 5.344 -0.993 0.067 0.00 0.00 +0.126 A ATOM 28 N LIG 1 6.162 -1.004 1.150 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 7.483 -1.166 0.923 0.00 0.00 +0.089 A ATOM 30 C LIG 1 8.023 -1.311 -0.349 0.00 0.00 +0.030 A ATOM 31 C LIG 1 7.163 -1.300 -1.446 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.797 -1.141 -1.240 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 8.291 -1.176 2.130 0.00 0.00 +0.084 A ATOM 34 N LIG 1 7.720 -1.107 3.377 0.00 0.00 -0.275 N ATOM 35 H LIG 1 6.726 -1.048 3.580 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 8.607 -1.124 4.389 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 9.784 -1.213 3.769 0.00 0.00 +0.135 A ATOM 38 C LIG 1 9.650 -1.250 2.368 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 7