REMARK Name = BDB011131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.599 -1.729 -1.934 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -2.673 -2.313 -2.570 0.00 0.00 +0.126 A ATOM 3 C LIG 1 -2.834 -3.322 -3.630 0.00 0.00 +0.088 C ATOM 4 O LIG 1 -3.813 -1.774 -2.045 0.00 0.00 -0.440 OA ATOM 5 C LIG 1 -3.369 -0.883 -1.104 0.00 0.00 +0.228 A ATOM 6 N LIG 1 -2.053 -0.824 -1.000 0.00 0.00 -0.214 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.384 -0.142 -0.361 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -3.992 0.780 0.619 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -4.941 1.508 1.351 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.311 1.331 1.119 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -6.702 0.408 0.138 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -5.753 -0.319 -0.593 0.00 0.00 +0.014 A BRANCH 10 13 ATOM 13 C LIG 1 -7.337 2.066 1.856 0.00 0.00 +0.179 A ATOM 14 N LIG 1 -7.114 2.986 2.846 0.00 0.00 -0.239 N ATOM 15 H LIG 1 -6.245 3.319 3.240 0.00 0.00 +0.192 HD ATOM 16 N LIG 1 -8.272 3.471 3.311 0.00 0.00 -0.046 NA ATOM 17 N LIG 1 -9.207 2.851 2.609 0.00 0.00 -0.023 NA ATOM 18 N LIG 1 -8.647 1.980 1.707 0.00 0.00 -0.108 NA ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 19 ATOM 19 C LIG 1 -0.145 -1.953 -2.126 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 0.464 -2.764 -0.984 0.00 0.00 +0.235 C BRANCH 20 21 ATOM 21 O LIG 1 1.863 -2.966 -1.193 0.00 0.00 -0.492 OA BRANCH 21 26 ATOM 22 C LIG 1 3.399 0.096 0.302 0.00 0.00 -0.041 A ATOM 23 C LIG 1 4.756 -0.266 0.180 0.00 0.00 -0.043 A ATOM 24 C LIG 1 5.079 -1.501 -0.406 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.079 -2.368 -0.849 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.735 -2.027 -0.717 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.403 -0.799 -0.145 0.00 0.00 +0.049 A BRANCH 22 29 ATOM 28 C LIG 1 2.703 1.260 2.420 0.00 0.00 +0.009 C ATOM 29 C LIG 1 2.949 1.400 0.924 0.00 0.00 +0.032 C ENDBRANCH 22 29 BRANCH 23 30 ATOM 30 C LIG 1 5.892 0.630 0.622 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 6.362 1.542 -0.509 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 7.473 2.441 -0.049 0.00 0.00 +0.305 C ATOM 33 O LIG 1 7.962 2.507 1.065 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 7.922 3.235 -1.041 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 8.633 3.765 -0.623 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11