REMARK Name = BDB028235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.925 -0.523 0.287 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -0.234 0.147 -0.155 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -1.474 -0.509 -0.205 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.559 -1.838 0.200 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -2.860 -2.525 0.156 0.00 0.00 +0.272 A ATOM 6 N LIG 1 -3.917 -1.783 -0.305 0.00 0.00 -0.242 N ATOM 7 H LIG 1 -4.827 -2.234 -0.338 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -3.870 -0.487 -0.712 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -2.975 -3.692 0.514 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -0.423 -2.519 0.647 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -2.728 0.137 -0.675 0.00 0.00 +0.083 A ATOM 12 C LIG 1 0.809 -1.863 0.689 0.00 0.00 +0.009 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 2.895 0.665 -0.784 0.00 0.00 +0.148 A ATOM 14 C LIG 1 2.228 0.162 0.343 0.00 0.00 +0.018 A ATOM 15 C LIG 1 2.876 0.336 1.577 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.109 0.981 1.646 0.00 0.00 +0.020 A ATOM 17 C LIG 1 4.675 1.443 0.473 0.00 0.00 +0.112 A ATOM 18 N LIG 1 4.097 1.302 -0.738 0.00 0.00 -0.244 NA BRANCH 13 20 ATOM 19 N LIG 1 1.847 0.449 -3.156 0.00 0.00 -0.189 NA ATOM 20 C LIG 1 2.343 0.544 -2.109 0.00 0.00 +0.120 C ENDBRANCH 13 20 ENDBRANCH 1 14 BRANCH 11 21 ATOM 21 C LIG 1 -2.708 1.591 -1.146 0.00 0.00 +0.136 C BRANCH 21 22 ATOM 22 N LIG 1 -2.758 2.491 0.008 0.00 0.00 -0.325 NA ATOM 23 H LIG 1 -2.867 3.450 -0.321 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -1.891 2.460 0.537 0.00 0.00 +0.119 HD ENDBRANCH 21 22 ENDBRANCH 11 21 TORSDOF 4