REMARK Name = BDB057687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.475 -0.878 2.718 0.00 0.00 +0.059 A ATOM 2 C LIG 1 -1.773 -1.838 3.775 0.00 0.00 +0.060 A ATOM 3 C LIG 1 -1.032 -2.983 3.877 0.00 0.00 +0.161 A ATOM 4 N LIG 1 -1.476 -3.720 4.909 0.00 0.00 -0.260 N ATOM 5 H LIG 1 -1.147 -4.621 5.247 0.00 0.00 +0.191 HD ATOM 6 N LIG 1 -2.513 -3.104 5.531 0.00 0.00 -0.180 NA ATOM 7 N LIG 1 -0.032 -3.205 2.985 0.00 0.00 -0.196 N ATOM 8 C LIG 1 0.227 -2.287 1.987 0.00 0.00 +0.166 A ATOM 9 C LIG 1 1.272 -2.843 1.268 0.00 0.00 +0.048 A ATOM 10 C LIG 1 1.537 -4.075 1.931 0.00 0.00 +0.145 A ATOM 11 N LIG 1 0.740 -4.293 2.987 0.00 0.00 -0.171 NA ATOM 12 C LIG 1 -2.685 -1.964 4.836 0.00 0.00 +0.146 A ATOM 13 N LIG 1 -0.503 -1.124 1.867 0.00 0.00 -0.231 NA ENDROOT BRANCH 1 19 ATOM 14 O LIG 1 0.510 2.699 0.556 0.00 0.00 -0.267 OA ATOM 15 C LIG 1 -0.612 2.510 0.077 0.00 0.00 +0.284 C ATOM 16 N LIG 1 -1.750 2.670 0.872 0.00 0.00 -0.289 N ATOM 17 C LIG 1 -1.627 2.917 2.294 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -1.284 1.587 2.982 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -2.244 0.429 2.593 0.00 0.00 +0.042 C ATOM 20 C LIG 1 -2.849 0.542 1.166 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -3.028 3.399 2.680 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -3.958 2.772 1.634 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -3.027 1.995 0.696 0.00 0.00 +0.077 C BRANCH 15 24 ATOM 24 C LIG 1 -0.760 2.100 -1.304 0.00 0.00 +0.217 A ATOM 25 N LIG 1 0.256 1.579 -2.063 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.190 1.355 -1.738 0.00 0.00 +0.168 HD ATOM 27 C LIG 1 -0.263 1.360 -3.299 0.00 0.00 +0.222 A ATOM 28 N LIG 1 -1.523 1.728 -3.319 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -1.841 2.184 -2.058 0.00 0.00 -0.125 NA ENDBRANCH 15 24 ENDBRANCH 1 19 BRANCH 9 30 ATOM 30 C LIG 1 1.858 -2.250 0.079 0.00 0.00 +0.005 A ATOM 31 C LIG 1 1.903 -0.872 -0.120 0.00 0.00 +0.120 A ATOM 32 N LIG 1 2.374 -0.264 -1.243 0.00 0.00 -0.254 NA ATOM 33 C LIG 1 2.853 -1.062 -2.232 0.00 0.00 +0.071 A ATOM 34 C LIG 1 2.882 -2.450 -2.102 0.00 0.00 +0.029 A ATOM 35 C LIG 1 2.378 -3.046 -0.941 0.00 0.00 +0.012 A BRANCH 33 36 ATOM 36 C LIG 1 3.305 -0.359 -3.447 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.962 0.882 -3.358 0.00 0.00 +0.010 A ATOM 38 C LIG 1 4.371 1.571 -4.503 0.00 0.00 +0.001 A ATOM 39 C LIG 1 4.129 1.034 -5.764 0.00 0.00 +0.000 A ATOM 40 C LIG 1 3.475 -0.189 -5.880 0.00 0.00 +0.001 A ATOM 41 C LIG 1 3.067 -0.877 -4.733 0.00 0.00 +0.010 A ENDBRANCH 33 36 ENDBRANCH 9 30 TORSDOF 4