REMARK Name = BDB017451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.934 -2.389 1.356 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.515 -2.061 2.660 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.241 -1.510 2.838 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.351 -1.291 1.795 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.811 -0.719 2.408 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.626 -0.565 3.731 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.755 -1.636 0.493 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.589 -1.080 3.959 0.00 0.00 -0.276 N ATOM 9 H LIG 1 0.929 -1.096 4.914 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.032 -2.187 0.298 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.462 1.396 -0.798 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.479 0.279 0.044 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.154 -0.867 -0.363 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.347 -2.214 0.276 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.309 -2.959 1.094 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.213 -2.973 -0.705 0.00 0.00 +0.231 C ATOM 17 N LIG 1 6.446 -2.125 -1.781 0.00 0.00 -0.273 N ATOM 18 C LIG 1 7.234 -2.472 -2.932 0.00 0.00 +0.138 C ATOM 19 O LIG 1 6.604 -4.116 -0.533 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.536 -2.365 1.759 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.828 -0.872 -1.596 0.00 0.00 +0.040 A ATOM 22 C LIG 1 5.844 0.224 -2.437 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.149 1.364 -2.025 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.933 2.588 0.576 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.819 2.577 -0.538 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -2.063 -0.302 1.774 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.714 0.861 2.196 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.911 1.274 1.593 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.495 0.548 0.546 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.844 -0.635 0.158 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -2.648 -1.057 0.757 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -5.695 0.919 -0.081 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -5.584 1.097 -1.548 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -6.982 1.257 -2.196 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -7.855 2.290 -1.595 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 -7.399 3.638 -1.924 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -7.905 2.069 -0.133 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -6.531 1.949 0.568 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4