REMARK Name = BDB001155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.716 -1.373 -1.206 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.630 -2.113 -1.613 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.627 -2.376 -0.908 0.00 0.00 +0.099 C ATOM 4 C LIG 1 1.131 -3.651 -1.587 0.00 0.00 +0.013 C ATOM 5 C LIG 1 2.627 -3.635 -1.362 0.00 0.00 +0.007 C ATOM 6 C LIG 1 3.028 -2.165 -1.414 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.691 -3.473 -3.043 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.746 -1.329 -1.189 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -0.644 -2.750 -2.923 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -2.598 -1.041 -2.007 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 1.916 -0.330 -0.141 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.073 0.014 0.325 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 2.872 0.664 -0.297 0.00 0.00 +0.244 C ATOM 14 O LIG 1 3.659 0.714 -1.236 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 2.892 1.738 0.736 0.00 0.00 +0.039 A ATOM 16 C LIG 1 3.346 3.012 0.349 0.00 0.00 +0.042 A ATOM 17 C LIG 1 3.350 4.000 1.335 0.00 0.00 +0.087 A ATOM 18 C LIG 1 2.951 3.778 2.646 0.00 0.00 +0.112 A ATOM 19 N LIG 1 3.071 4.938 3.363 0.00 0.00 -0.130 NA ATOM 20 N LIG 1 3.531 5.880 2.549 0.00 0.00 -0.067 NA ATOM 21 C LIG 1 2.520 2.501 3.028 0.00 0.00 +0.032 A ATOM 22 N LIG 1 3.698 5.321 1.338 0.00 0.00 -0.257 N ATOM 23 H LIG 1 4.047 5.894 0.580 0.00 0.00 +0.191 HD ATOM 24 C LIG 1 2.500 1.484 2.060 0.00 0.00 +0.015 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 25 ATOM 25 C LIG 1 -1.862 -1.008 0.290 0.00 0.00 +0.164 C BRANCH 25 27 ATOM 26 C LIG 1 -1.426 1.409 0.377 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -2.336 0.380 0.299 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -3.162 0.538 -0.268 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -0.255 1.192 0.695 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -1.971 2.843 0.137 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -2.977 2.944 -1.009 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -0.137 3.682 -1.290 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -0.842 3.796 -0.018 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -0.173 3.591 0.732 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -2.824 -1.964 1.067 0.00 0.00 -0.011 C ATOM 36 C LIG 1 -2.895 -1.514 2.543 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -2.287 -3.409 1.044 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -4.255 -1.970 0.496 0.00 0.00 +0.013 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 7