REMARK Name = BDB032928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.661 -0.239 0.855 0.00 0.00 +0.252 C ATOM 2 N LIG 1 1.805 -0.547 0.103 0.00 0.00 -0.249 N ATOM 3 C LIG 1 1.864 -1.752 -0.735 0.00 0.00 +0.140 C ATOM 4 O LIG 1 0.485 0.707 1.617 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.549 -0.939 -0.138 0.00 0.00 -0.035 A ATOM 6 C LIG 1 -0.488 -1.168 0.757 0.00 0.00 +0.040 A ATOM 7 C LIG 1 -0.491 -2.276 1.616 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -1.543 -3.188 1.569 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.590 -2.990 0.672 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -2.595 -1.876 -0.172 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 -1.601 0.261 -1.060 0.00 0.00 +0.039 C BRANCH 11 13 ATOM 12 C LIG 1 -2.462 1.972 0.621 0.00 0.00 +0.007 C ATOM 13 C LIG 1 -2.712 1.273 -0.717 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -2.824 2.317 -1.831 0.00 0.00 +0.007 C ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 1 6 BRANCH 2 15 ATOM 15 C LIG 1 2.980 0.213 0.207 0.00 0.00 +0.169 A ATOM 16 S LIG 1 3.074 1.690 1.075 0.00 0.00 -0.029 S ATOM 17 C LIG 1 4.708 1.846 0.652 0.00 0.00 +0.166 A ATOM 18 C LIG 1 5.097 0.783 -0.127 0.00 0.00 +0.152 A ATOM 19 N LIG 1 4.105 -0.147 -0.384 0.00 0.00 -0.231 NA BRANCH 17 20 ATOM 20 N LIG 1 5.546 2.975 1.078 0.00 0.00 -0.022 NA ATOM 21 O LIG 1 6.715 2.934 0.677 0.00 0.00 -0.143 OA ENDBRANCH 17 20 ENDBRANCH 2 15 TORSDOF 5