REMARK Name = BDB003492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.942 -0.922 4.252 0.00 0.00 +0.243 C ENDROOT BRANCH 1 7 ATOM 2 C LIG 1 6.336 -0.121 0.360 0.00 0.00 +0.094 A ATOM 3 N LIG 1 5.746 1.010 0.795 0.00 0.00 -0.165 NA ATOM 4 N LIG 1 4.799 0.591 1.655 0.00 0.00 -0.211 N ATOM 5 C LIG 1 4.750 -0.757 1.790 0.00 0.00 +0.135 A ATOM 6 C LIG 1 3.791 -1.355 2.667 0.00 0.00 +0.293 A ATOM 7 N LIG 1 2.973 -0.425 3.338 0.00 0.00 -0.217 N ATOM 8 N LIG 1 3.026 0.964 3.149 0.00 0.00 -0.153 NA ATOM 9 O LIG 1 3.698 -2.569 2.815 0.00 0.00 -0.264 OA ATOM 10 C LIG 1 3.929 1.435 2.336 0.00 0.00 +0.149 A ATOM 11 C LIG 1 4.097 2.895 2.063 0.00 0.00 +0.090 C ATOM 12 C LIG 1 5.730 -1.259 0.968 0.00 0.00 +0.063 A BRANCH 2 16 ATOM 13 C LIG 1 9.566 -0.002 -2.474 0.00 0.00 +0.120 A ATOM 14 C LIG 1 8.972 1.175 -2.020 0.00 0.00 +0.046 A ATOM 15 C LIG 1 7.921 1.136 -1.098 0.00 0.00 +0.013 A ATOM 16 C LIG 1 7.440 -0.087 -0.608 0.00 0.00 +0.002 A ATOM 17 C LIG 1 8.044 -1.266 -1.070 0.00 0.00 +0.013 A ATOM 18 C LIG 1 9.098 -1.224 -1.995 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 11.220 -0.995 -3.864 0.00 0.00 +0.277 C ATOM 20 O LIG 1 10.581 0.177 -3.372 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 2 16 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 C LIG 1 0.591 -1.116 3.561 0.00 0.00 +0.235 C ATOM 22 N LIG 1 0.424 -0.390 2.397 0.00 0.00 -0.314 N ATOM 23 H LIG 1 1.082 0.377 2.283 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -0.307 -1.786 4.066 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 -0.871 -0.287 1.755 0.00 0.00 +0.105 C BRANCH 25 26 ATOM 26 C LIG 1 -0.731 0.183 0.315 0.00 0.00 +0.034 C BRANCH 26 27 ATOM 27 C LIG 1 -2.037 0.182 -0.490 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 N LIG 1 -3.003 1.184 -0.014 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 -3.740 1.808 -1.119 0.00 0.00 +0.086 C ATOM 30 C LIG 1 -4.752 0.883 -1.801 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -5.543 0.027 -0.789 0.00 0.00 +0.059 C ATOM 32 C LIG 1 -5.399 0.601 0.627 0.00 0.00 +0.034 C ATOM 33 C LIG 1 -3.916 0.661 1.022 0.00 0.00 +0.086 C BRANCH 31 34 ATOM 34 N LIG 1 -6.922 -0.215 -1.267 0.00 0.00 -0.299 NA ATOM 35 C LIG 1 -7.498 -1.439 -0.686 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -8.839 -1.778 -1.339 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -9.819 -0.615 -1.241 0.00 0.00 +0.002 C ATOM 38 C LIG 1 -9.177 0.667 -1.758 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -7.831 0.926 -1.078 0.00 0.00 +0.084 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 21 TORSDOF 9