REMARK Name = BDB009104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.395 1.846 -0.789 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.064 0.578 -1.175 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.922 0.415 -2.275 0.00 0.00 -0.040 A ATOM 4 C LIG 1 1.292 1.548 -3.010 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.837 2.811 -2.634 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.003 2.960 -1.527 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 -1.624 4.189 0.606 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.845 3.017 0.882 0.00 0.00 +0.249 C ATOM 9 N LIG 1 -1.255 1.899 0.327 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -1.440 1.008 0.765 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 -2.785 2.732 1.994 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -3.920 1.923 1.855 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -4.795 1.740 2.935 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -4.519 2.345 4.162 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.389 3.149 4.306 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.529 3.352 3.224 0.00 0.00 +0.014 A BRANCH 12 17 ATOM 17 C LIG 1 -4.289 1.307 0.570 0.00 0.00 +0.194 C ATOM 18 O LIG 1 -5.003 1.945 -0.195 0.00 0.00 -0.287 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.799 -0.054 0.217 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -3.826 -0.435 -1.130 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -3.313 -1.672 -1.521 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -2.778 -2.537 -0.568 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.763 -2.172 0.778 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -3.274 -0.933 1.174 0.00 0.00 +0.012 A ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 25 ATOM 25 C LIG 1 1.391 -0.955 -2.710 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 1.818 -1.861 -1.558 0.00 0.00 +0.069 A ATOM 27 C LIG 1 3.178 -1.698 -0.955 0.00 0.00 -0.016 A ATOM 28 C LIG 1 4.129 -0.651 -1.465 0.00 0.00 +0.037 C ATOM 29 C LIG 1 5.337 -0.426 -0.550 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.899 -1.748 -0.041 0.00 0.00 +0.005 C ATOM 31 C LIG 1 4.838 -2.532 0.732 0.00 0.00 +0.041 C ATOM 32 C LIG 1 3.498 -2.533 0.050 0.00 0.00 +0.023 A ATOM 33 C LIG 1 2.511 -3.533 0.529 0.00 0.00 +0.268 A ATOM 34 O LIG 1 2.756 -4.291 1.461 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 1.313 -3.556 -0.131 0.00 0.00 -0.243 N ATOM 36 H LIG 1 0.632 -4.243 0.173 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 0.950 -2.745 -1.159 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 6