REMARK Name = BDB024322 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.263 1.303 -1.239 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.956 2.542 -2.081 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.574 3.750 -1.474 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.290 4.874 -2.249 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.394 4.809 -3.637 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.788 3.621 -4.252 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.072 2.494 -3.479 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.072 0.956 -0.277 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.134 0.844 -0.963 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.155 1.154 -1.924 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.229 0.764 0.926 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.357 0.454 -0.406 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.432 0.013 0.859 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 3.647 -0.358 1.336 0.00 0.00 +0.123 A ATOM 15 C LIG 1 4.824 -0.323 0.602 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.721 0.129 -0.715 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.480 0.519 -1.225 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.103 -0.729 1.145 0.00 0.00 +0.114 A ATOM 19 N LIG 1 7.269 -0.735 0.419 0.00 0.00 -0.129 NA ATOM 20 N LIG 1 8.250 -1.156 1.206 0.00 0.00 -0.065 NA ATOM 21 N LIG 1 7.714 -1.411 2.409 0.00 0.00 -0.254 N ATOM 22 C LIG 1 8.544 -1.886 3.482 0.00 0.00 +0.174 C ATOM 23 C LIG 1 6.374 -1.162 2.425 0.00 0.00 +0.138 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.521 1.512 -0.496 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -3.000 2.322 -0.889 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.455 0.380 -0.511 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -2.165 -1.848 -0.328 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.096 -0.847 0.368 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.366 -1.571 0.816 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.663 -1.662 2.185 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.817 -2.315 2.623 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.692 -2.888 1.696 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.407 -2.803 0.330 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.252 -2.149 -0.107 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.878 -3.559 2.143 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.838 -4.104 2.500 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9