REMARK Name = BDB027096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.333 -1.604 0.001 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.088 -3.080 0.292 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.441 -4.044 -0.666 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.233 -5.403 -0.422 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.681 -5.817 0.788 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.345 -4.875 1.758 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.553 -3.516 1.516 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.164 -0.710 0.503 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.265 -0.088 1.567 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.690 1.536 -0.125 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.383 0.607 -1.133 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.139 -0.037 -1.067 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.208 0.208 -0.055 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.062 -0.624 -0.305 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.342 -1.334 -1.460 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.537 1.156 0.937 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.585 -0.973 -1.907 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.037 -1.342 -2.733 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.771 1.816 0.888 0.00 0.00 +0.014 A BRANCH 10 23 ATOM 20 C LIG 1 8.392 2.158 -0.568 0.00 0.00 +0.128 C ATOM 21 N LIG 1 7.070 1.589 -0.647 0.00 0.00 -0.314 N ATOM 22 H LIG 1 6.995 0.588 -0.760 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 5.988 2.268 -0.121 0.00 0.00 +0.244 C ATOM 24 O LIG 1 6.063 3.393 0.361 0.00 0.00 -0.270 OA ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.621 -1.196 0.620 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.444 -1.075 1.621 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.122 0.066 0.065 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.438 0.461 0.750 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 -4.962 1.787 0.242 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -5.747 1.904 -0.919 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 -6.192 0.527 -1.863 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 -6.193 3.155 -1.355 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -5.854 4.298 -0.638 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 -6.401 5.838 -1.176 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -5.071 4.206 0.509 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -4.626 2.957 0.946 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8