REMARK Name = BDB013672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.333 -0.168 0.326 0.00 0.00 +0.166 A ATOM 2 C LIG 1 2.192 -0.298 -0.879 0.00 0.00 +0.117 A ATOM 3 C LIG 1 3.533 -0.021 -0.764 0.00 0.00 +0.070 A ATOM 4 C LIG 1 4.330 -0.151 -1.902 0.00 0.00 +0.017 A ATOM 5 C LIG 1 3.743 -0.550 -3.102 0.00 0.00 +0.020 A ATOM 6 C LIG 1 2.377 -0.803 -3.119 0.00 0.00 +0.111 A ATOM 7 C LIG 1 4.071 0.400 0.530 0.00 0.00 +0.276 A ATOM 8 O LIG 1 5.275 0.626 0.625 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 3.157 0.520 1.573 0.00 0.00 -0.230 N ATOM 10 C LIG 1 3.607 0.913 2.896 0.00 0.00 +0.176 C ATOM 11 N LIG 1 1.579 -0.686 -2.037 0.00 0.00 -0.251 NA ATOM 12 N LIG 1 1.819 0.222 1.472 0.00 0.00 -0.151 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.001 -0.477 0.184 0.00 0.00 -0.322 N ATOM 14 H LIG 1 -0.336 -0.709 -0.753 0.00 0.00 +0.148 HD BRANCH 13 16 ATOM 15 C LIG 1 -2.401 -0.813 0.703 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -1.034 -0.225 1.162 0.00 0.00 +0.089 C ATOM 17 C LIG 1 -1.280 1.269 1.383 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -2.785 1.437 1.584 0.00 0.00 +0.003 C ATOM 19 C LIG 1 -3.396 0.042 1.498 0.00 0.00 +0.021 C BRANCH 15 21 ATOM 20 C LIG 1 -2.808 0.371 -1.464 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -2.600 -0.897 -0.770 0.00 0.00 -0.304 NA ATOM 22 C LIG 1 -3.687 -1.824 -1.097 0.00 0.00 +0.104 C ENDBRANCH 15 21 ENDBRANCH 13 16 ENDBRANCH 1 13 TORSDOF 3