REMARK Name = BDB026433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.059 -0.700 -1.019 0.00 0.00 +0.142 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 2.832 -0.599 1.191 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.781 0.027 0.531 0.00 0.00 +0.305 C ATOM 4 O LIG 1 1.388 1.170 0.697 0.00 0.00 -0.252 OA ATOM 5 N LIG 1 1.214 -0.904 -0.338 0.00 0.00 -0.281 N ATOM 6 C LIG 1 1.762 -2.220 -0.086 0.00 0.00 +0.128 C ATOM 7 C LIG 1 3.062 -1.922 0.651 0.00 0.00 +0.128 C BRANCH 2 8 ATOM 8 C LIG 1 3.789 0.097 2.025 0.00 0.00 +0.146 C BRANCH 8 13 ATOM 9 C LIG 1 8.599 1.508 -0.807 0.00 0.00 +0.065 C ATOM 10 C LIG 1 7.330 1.168 -0.085 0.00 0.00 +0.038 A ATOM 11 N LIG 1 7.381 0.163 0.821 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 6.236 -0.142 1.475 0.00 0.00 +0.116 A ATOM 13 C LIG 1 5.023 0.504 1.272 0.00 0.00 -0.012 A ATOM 14 C LIG 1 4.998 1.535 0.331 0.00 0.00 +0.008 A ATOM 15 C LIG 1 6.162 1.873 -0.356 0.00 0.00 +0.023 A ENDBRANCH 8 13 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 C LIG 1 -1.263 -0.680 -0.050 0.00 0.00 +0.146 C BRANCH 16 17 ATOM 17 O LIG 1 -1.367 0.616 0.559 0.00 0.00 -0.389 OA ATOM 18 H LIG 1 -0.460 0.937 0.751 0.00 0.00 +0.210 HD ENDBRANCH 16 17 BRANCH 16 19 ATOM 19 C LIG 1 -2.574 -0.995 -0.817 0.00 0.00 +0.117 C BRANCH 19 20 ATOM 20 N LIG 1 -3.672 -1.501 0.038 0.00 0.00 -0.295 NA ATOM 21 C LIG 1 -4.249 -0.463 0.916 0.00 0.00 +0.120 C ATOM 22 C LIG 1 -5.159 0.530 0.220 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -5.809 0.194 -0.981 0.00 0.00 -0.042 A ATOM 24 C LIG 1 -6.683 1.112 -1.580 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -6.924 2.348 -0.981 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.291 2.679 0.215 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.512 -1.118 -1.661 0.00 0.00 +0.051 C ATOM 28 C LIG 1 -5.415 1.773 0.815 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -4.759 -2.103 -0.754 0.00 0.00 +0.089 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 TORSDOF 7