REMARK Name = BDB056298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.237 -1.079 -1.206 0.00 0.00 +0.058 A ATOM 2 C LIG 1 0.375 -1.847 -0.385 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -1.005 -1.810 -0.650 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.511 -1.088 -1.737 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -0.642 -0.410 -2.595 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.728 -0.399 -2.328 0.00 0.00 +0.015 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.960 -1.093 -2.048 0.00 0.00 +0.247 C ATOM 8 N LIG 1 -3.878 -0.822 -1.035 0.00 0.00 -0.298 N ATOM 9 C LIG 1 -5.297 -0.998 -1.339 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -6.127 -1.169 -0.071 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -5.996 0.039 0.885 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -4.659 0.779 0.672 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -3.547 -0.170 0.234 0.00 0.00 +0.108 C ATOM 14 O LIG 1 -3.288 -1.337 -3.207 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -7.189 1.011 0.760 0.00 0.00 +0.057 C ATOM 16 N LIG 1 -8.470 0.384 1.133 0.00 0.00 -0.313 NA ATOM 17 H LIG 1 -8.339 -0.153 1.991 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -9.400 1.485 1.417 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -8.552 2.713 1.717 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -7.122 2.206 1.702 0.00 0.00 +0.020 C ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 23 ATOM 21 N LIG 1 3.328 0.166 -1.199 0.00 0.00 -0.281 N ATOM 22 H LIG 1 2.734 0.949 -1.440 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 2.704 -1.037 -0.920 0.00 0.00 +0.250 C ATOM 24 O LIG 1 3.223 -2.032 -0.425 0.00 0.00 -0.270 OA BRANCH 21 31 ATOM 25 N LIG 1 8.525 3.158 -1.391 0.00 0.00 -0.294 NA ATOM 26 C LIG 1 7.088 3.471 -1.317 0.00 0.00 +0.120 C ATOM 27 C LIG 1 6.427 2.135 -1.184 0.00 0.00 -0.027 A ATOM 28 C LIG 1 7.389 1.175 -0.878 0.00 0.00 -0.029 A ATOM 29 C LIG 1 7.036 -0.143 -0.665 0.00 0.00 +0.007 A ATOM 30 C LIG 1 5.684 -0.495 -0.771 0.00 0.00 +0.023 A ATOM 31 C LIG 1 4.703 0.466 -1.075 0.00 0.00 +0.034 A ATOM 32 C LIG 1 5.086 1.800 -1.287 0.00 0.00 +0.028 A ATOM 33 C LIG 1 8.736 1.823 -0.804 0.00 0.00 +0.120 C BRANCH 25 35 ATOM 34 C LIG 1 9.354 4.627 0.511 0.00 0.00 +0.020 C ATOM 35 C LIG 1 9.440 4.199 -0.952 0.00 0.00 +0.082 C ENDBRANCH 25 35 ENDBRANCH 21 31 ENDBRANCH 1 23 BRANCH 2 36 ATOM 36 N LIG 1 0.860 -2.519 0.774 0.00 0.00 -0.314 N ATOM 37 H LIG 1 1.883 -2.639 0.689 0.00 0.00 +0.152 HD BRANCH 36 38 ATOM 38 C LIG 1 0.340 -3.696 1.369 0.00 0.00 +0.031 A ATOM 39 C LIG 1 -0.239 -4.729 0.623 0.00 0.00 +0.023 A ATOM 40 C LIG 1 -0.670 -5.903 1.246 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -0.501 -6.067 2.619 0.00 0.00 +0.000 A ATOM 42 C LIG 1 0.112 -5.064 3.366 0.00 0.00 +0.002 A ATOM 43 C LIG 1 0.541 -3.892 2.740 0.00 0.00 +0.023 A ENDBRANCH 36 38 ENDBRANCH 2 36 TORSDOF 7