REMARK Name = BDB027163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.485 -1.494 0.233 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.468 -2.636 0.466 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.871 -3.454 -0.602 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.763 -4.508 -0.392 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.254 -4.763 0.887 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.850 -3.970 1.958 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.958 -2.917 1.752 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -1.672 0.272 1.914 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 -2.031 -0.152 0.811 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -3.002 0.612 0.006 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -3.568 1.895 0.326 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -4.439 2.246 -0.708 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.164 3.444 -0.720 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -4.996 4.316 0.359 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.137 3.999 1.407 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -4.413 1.222 -1.621 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -4.958 1.204 -2.473 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -3.421 2.797 1.402 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -3.552 0.239 -1.210 0.00 0.00 +0.095 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 N LIG 1 -0.169 -1.861 0.820 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 0.043 -2.825 0.564 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 0.907 -0.980 0.360 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 C LIG 1 2.222 -1.337 1.065 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 3.371 -0.489 0.574 0.00 0.00 -0.046 A ATOM 25 C LIG 1 4.287 -0.994 -0.355 0.00 0.00 +0.004 A ATOM 26 C LIG 1 5.343 -0.201 -0.819 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.504 1.116 -0.365 0.00 0.00 +0.019 A ATOM 28 C LIG 1 4.575 1.618 0.558 0.00 0.00 +0.012 A ATOM 29 C LIG 1 3.523 0.826 1.025 0.00 0.00 +0.004 A BRANCH 27 30 ATOM 30 C LIG 1 6.595 1.978 -0.823 0.00 0.00 +0.161 A ATOM 31 N LIG 1 7.710 1.556 -1.504 0.00 0.00 -0.328 N ATOM 32 H LIG 1 7.932 0.610 -1.767 0.00 0.00 +0.168 HD ATOM 33 C LIG 1 8.473 2.660 -1.727 0.00 0.00 +0.222 A ATOM 34 N LIG 1 7.880 3.711 -1.218 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 6.704 3.283 -0.645 0.00 0.00 -0.130 NA ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8