REMARK Name = BDB021236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.135 -0.487 0.107 0.00 0.00 +0.045 A ATOM 2 C LIG 1 0.257 -1.447 -0.472 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.093 -1.272 -0.239 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.748 -2.333 -0.823 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.758 -3.078 -1.425 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.601 -0.187 0.501 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.786 0.676 1.046 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.480 -2.520 -1.210 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.567 0.499 0.836 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.846 -2.519 1.533 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.418 -1.444 0.649 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.605 -0.512 -0.017 0.00 0.00 +0.008 A ATOM 13 C LIG 1 3.239 0.435 -0.826 0.00 0.00 +0.120 A ATOM 14 N LIG 1 4.577 0.534 -1.000 0.00 0.00 -0.250 NA ATOM 15 C LIG 1 5.344 -0.376 -0.348 0.00 0.00 +0.126 A ATOM 16 C LIG 1 4.807 -1.377 0.460 0.00 0.00 +0.037 A BRANCH 15 17 ATOM 17 C LIG 1 6.834 -0.335 -0.549 0.00 0.00 +0.264 C ATOM 18 N LIG 1 7.481 0.870 -0.845 0.00 0.00 -0.302 N ATOM 19 C LIG 1 8.867 0.835 -1.278 0.00 0.00 +0.132 C ATOM 20 C LIG 1 6.847 2.178 -0.818 0.00 0.00 +0.132 C ATOM 21 O LIG 1 7.454 -1.395 -0.434 0.00 0.00 -0.268 OA ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 22 ATOM 22 C LIG 1 -0.923 -4.286 -2.178 0.00 0.00 +0.121 C ATOM 23 N LIG 1 -1.092 -5.261 -2.788 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -2.959 -0.040 0.677 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.102 0.627 1.435 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.771 0.382 -0.461 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.221 0.370 -0.082 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.837 1.431 0.576 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.276 2.711 1.081 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.578 3.451 1.391 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.635 2.483 1.585 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.180 1.365 0.933 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -7.963 0.259 0.667 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.366 -0.817 0.008 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.014 -0.754 -0.356 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.471 -1.809 -0.982 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 6