REMARK Name = BDB056210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.482 -0.114 -0.996 0.00 0.00 +0.090 C ATOM 2 C LIG 1 -0.113 0.148 -0.344 0.00 0.00 +0.034 C ATOM 3 C LIG 1 0.975 -0.732 -0.992 0.00 0.00 +0.072 C ATOM 4 C LIG 1 0.538 -2.217 -0.983 0.00 0.00 +0.099 C ATOM 5 N LIG 1 -0.769 -2.422 -1.630 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -0.696 -2.155 -2.612 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.804 -1.614 -0.975 0.00 0.00 +0.093 C ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 2.330 -0.390 -0.506 0.00 0.00 -0.283 NA ATOM 9 C LIG 1 2.886 -0.950 0.749 0.00 0.00 +0.033 C ATOM 10 C LIG 1 1.931 -0.834 1.955 0.00 0.00 +0.029 C ATOM 11 C LIG 1 3.367 -2.417 0.664 0.00 0.00 +0.029 C ATOM 12 C LIG 1 4.108 -0.043 1.090 0.00 0.00 +0.135 C ATOM 13 N LIG 1 5.131 -0.001 0.041 0.00 0.00 -0.267 N ATOM 14 C LIG 1 4.722 0.051 -1.292 0.00 0.00 +0.234 C ATOM 15 O LIG 1 5.468 0.364 -2.226 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 3.308 -0.448 -1.620 0.00 0.00 +0.181 C BRANCH 13 17 ATOM 17 C LIG 1 6.407 0.523 0.433 0.00 0.00 +0.055 A ATOM 18 C LIG 1 7.242 -0.147 1.349 0.00 0.00 +0.062 A ATOM 19 CL LIG 1 6.884 -1.731 1.953 0.00 0.00 -0.082 Cl ATOM 20 C LIG 1 8.461 0.418 1.746 0.00 0.00 +0.022 A ATOM 21 C LIG 1 8.868 1.647 1.230 0.00 0.00 +0.002 A ATOM 22 C LIG 1 8.063 2.309 0.308 0.00 0.00 +0.002 A ATOM 23 C LIG 1 6.846 1.751 -0.089 0.00 0.00 +0.025 A ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 26 ATOM 24 N LIG 1 -3.783 0.674 -0.972 0.00 0.00 -0.305 N ATOM 25 H LIG 1 -3.833 0.258 -1.892 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -2.589 0.658 -0.287 0.00 0.00 +0.218 C ATOM 27 O LIG 1 -2.436 1.204 0.800 0.00 0.00 -0.275 OA BRANCH 24 28 ATOM 28 C LIG 1 -4.963 1.364 -0.467 0.00 0.00 +0.142 C BRANCH 28 29 ATOM 29 C LIG 1 -5.601 2.045 -1.634 0.00 0.00 +0.157 A ATOM 30 O LIG 1 -5.396 3.389 -1.731 0.00 0.00 -0.358 OA ATOM 31 N LIG 1 -6.040 3.875 -2.857 0.00 0.00 -0.086 NA ATOM 32 C LIG 1 -6.621 2.813 -3.418 0.00 0.00 +0.157 A ATOM 33 C LIG 1 -6.376 1.634 -2.695 0.00 0.00 +0.069 A ENDBRANCH 28 29 BRANCH 28 34 ATOM 34 C LIG 1 -5.947 0.378 0.196 0.00 0.00 +0.033 C BRANCH 34 36 ATOM 35 C LIG 1 -6.428 -1.359 1.948 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -5.465 -0.246 1.522 0.00 0.00 -0.015 C ATOM 37 C LIG 1 -5.358 0.788 2.643 0.00 0.00 +0.007 C ENDBRANCH 34 36 ENDBRANCH 28 34 ENDBRANCH 24 28 ENDBRANCH 1 26 TORSDOF 7