REMARK Name = BDB015247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.682 -0.882 0.471 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.465 -2.245 0.868 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 1.184 -2.461 1.492 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.218 -0.508 -0.729 0.00 0.00 +0.118 C BRANCH 4 5 ATOM 5 N LIG 1 -1.673 -0.631 -0.482 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.425 -0.461 -1.743 0.00 0.00 +0.120 C ATOM 7 C LIG 1 -3.930 -0.441 -1.569 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -4.507 -0.178 -0.314 0.00 0.00 -0.042 A ATOM 9 C LIG 1 -5.903 -0.143 -0.179 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -6.721 -0.340 -1.292 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -6.151 -0.579 -2.543 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.623 -0.011 0.896 0.00 0.00 +0.051 C ATOM 13 C LIG 1 -4.764 -0.627 -2.682 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -2.171 0.319 0.523 0.00 0.00 +0.089 C ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 2.168 -0.723 0.121 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 2.948 -0.983 1.299 0.00 0.00 -0.371 OA BRANCH 16 17 ATOM 17 C LIG 1 3.187 0.206 2.067 0.00 0.00 +0.215 C BRANCH 17 18 ATOM 18 C LIG 1 4.522 0.814 1.709 0.00 0.00 +0.067 A ATOM 19 N LIG 1 4.541 1.800 0.767 0.00 0.00 -0.258 NA ATOM 20 C LIG 1 5.752 2.280 0.406 0.00 0.00 +0.111 A ATOM 21 C LIG 1 6.949 1.837 0.942 0.00 0.00 +0.020 A ATOM 22 C LIG 1 6.912 0.838 1.911 0.00 0.00 +0.003 A ATOM 23 C LIG 1 5.686 0.307 2.293 0.00 0.00 +0.025 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 7