REMARK Name = BDB027160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.289 -2.517 0.890 0.00 0.00 +0.158 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.793 -3.925 1.202 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.818 -4.431 2.512 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.344 -5.715 2.788 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.166 -6.505 1.760 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.207 -6.013 0.457 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.267 -4.729 0.179 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.265 -1.473 1.408 0.00 0.00 +0.204 C ATOM 9 O LIG 1 -0.269 -1.053 2.569 0.00 0.00 -0.288 OA BRANCH 8 17 ATOM 10 C LIG 1 2.171 -0.925 -2.877 0.00 0.00 +0.086 C ATOM 11 C LIG 1 1.769 -0.796 -1.453 0.00 0.00 +0.112 A ATOM 12 N LIG 1 2.456 -0.019 -0.538 0.00 0.00 -0.302 N ATOM 13 C LIG 1 1.793 -0.152 0.671 0.00 0.00 +0.077 A ATOM 14 C LIG 1 2.312 0.562 1.784 0.00 0.00 +0.029 A ATOM 15 C LIG 1 3.411 1.326 1.627 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.112 1.457 0.341 0.00 0.00 +0.002 A ATOM 17 C LIG 1 0.736 -1.011 0.438 0.00 0.00 +0.134 A ATOM 18 C LIG 1 3.594 0.771 -0.702 0.00 0.00 +0.101 A ATOM 19 N LIG 1 0.732 -1.391 -0.894 0.00 0.00 -0.229 NA BRANCH 16 20 ATOM 20 C LIG 1 5.285 2.275 0.225 0.00 0.00 +0.021 A ATOM 21 C LIG 1 5.758 2.890 -0.915 0.00 0.00 +0.116 A ATOM 22 N LIG 1 6.889 3.561 -0.545 0.00 0.00 -0.274 N ATOM 23 C LIG 1 7.739 4.365 -1.390 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.192 3.423 0.757 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.216 2.640 1.225 0.00 0.00 +0.143 A ENDBRANCH 16 20 ENDBRANCH 8 17 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.647 -2.311 1.466 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.241 -3.081 1.162 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.264 -1.031 1.104 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.684 -0.922 -0.370 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.391 0.382 -0.655 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.653 1.541 -0.936 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.301 2.755 -1.181 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.699 2.821 -1.151 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -6.438 1.671 -0.851 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -5.788 0.459 -0.606 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 -6.439 4.087 -1.405 0.00 0.00 +0.242 C ATOM 37 O LIG 1 -7.593 4.247 -1.030 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -5.796 5.063 -2.116 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -4.985 4.865 -2.683 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -6.368 5.854 -2.385 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9