REMARK Name = BDB001753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.247 0.517 0.305 0.00 0.00 +0.403 C ATOM 2 N LIG 1 3.022 -0.104 0.191 0.00 0.00 -0.265 N ATOM 3 C LIG 1 2.482 -0.555 -1.089 0.00 0.00 +0.126 C ATOM 4 C LIG 1 1.225 -1.428 -0.929 0.00 0.00 +0.104 C ATOM 5 N LIG 1 0.184 -0.750 -0.141 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 0.710 -0.204 1.129 0.00 0.00 +0.104 C ATOM 7 C LIG 1 2.224 -0.381 1.375 0.00 0.00 +0.126 C ATOM 8 O LIG 1 4.745 0.859 1.371 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 9 ATOM 9 O LIG 1 4.842 0.701 -0.905 0.00 0.00 -0.451 OA BRANCH 9 11 ATOM 10 C LIG 1 7.223 0.332 -0.674 0.00 0.00 +0.048 C ATOM 11 C LIG 1 6.120 1.351 -0.886 0.00 0.00 +0.230 C ENDBRANCH 9 11 ENDBRANCH 1 9 BRANCH 5 12 ATOM 12 C LIG 1 -1.007 -1.587 0.024 0.00 0.00 +0.115 C BRANCH 12 13 ATOM 13 C LIG 1 -2.282 -0.779 0.184 0.00 0.00 -0.058 C ATOM 14 C LIG 1 -3.131 -0.647 -0.857 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -2.552 -0.217 1.556 0.00 0.00 +0.040 C BRANCH 14 16 ATOM 16 C LIG 1 -4.387 0.107 -0.848 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -4.383 1.503 -0.754 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -5.585 2.213 -0.760 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -6.796 1.531 -0.864 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.807 0.140 -0.964 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.605 -0.571 -0.959 0.00 0.00 +0.008 A ENDBRANCH 14 16 ENDBRANCH 12 13 ENDBRANCH 5 12 TORSDOF 5