REMARK Name = BDB027090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.854 -1.045 -0.201 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.270 0.004 0.827 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.333 1.373 0.521 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.747 2.299 1.480 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.110 1.872 2.756 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.058 0.518 3.075 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.644 -0.410 2.118 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.208 -0.550 -1.226 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.092 -0.217 -2.375 0.00 0.00 -0.290 OA BRANCH 8 13 ATOM 10 C LIG 1 -5.167 0.198 -1.231 0.00 0.00 +0.061 A ATOM 11 C LIG 1 -3.879 -0.111 -0.756 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -2.749 -0.070 -1.577 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -1.612 -0.449 -0.779 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -2.095 -0.675 0.499 0.00 0.00 +0.095 A ATOM 15 C LIG 1 -2.922 0.309 -2.927 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -4.193 0.651 -3.406 0.00 0.00 +0.001 A ATOM 17 N LIG 1 -3.445 -0.447 0.505 0.00 0.00 -0.359 N ATOM 18 H LIG 1 -4.048 -0.500 1.318 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -5.301 0.602 -2.566 0.00 0.00 +0.015 A BRANCH 10 23 ATOM 20 C LIG 1 -7.615 -1.226 1.240 0.00 0.00 +0.128 C ATOM 21 N LIG 1 -6.416 -0.966 0.481 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -5.848 -1.764 0.224 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -6.367 0.124 -0.369 0.00 0.00 +0.246 C ATOM 24 O LIG 1 -7.253 0.964 -0.461 0.00 0.00 -0.270 OA ENDBRANCH 10 23 ENDBRANCH 8 13 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 2.030 -1.716 -0.817 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 2.643 -2.025 -0.062 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 2.791 -0.899 -1.769 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 4.314 -1.090 -1.636 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 4.890 -0.373 -0.431 0.00 0.00 -0.028 A ATOM 30 C LIG 1 5.110 -0.997 0.808 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 4.765 -2.671 1.066 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 5.602 -0.271 1.897 0.00 0.00 +0.040 A ATOM 33 C LIG 1 5.870 1.087 1.758 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 6.452 1.985 3.106 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 5.663 1.726 0.540 0.00 0.00 +0.020 A ATOM 36 C LIG 1 5.176 1.000 -0.548 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8