REMARK Name = BDB056310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.491 0.165 0.354 0.00 0.00 +0.204 C ATOM 2 C LIG 1 -1.494 -1.364 0.101 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -2.356 -2.093 1.166 0.00 0.00 +0.078 C ATOM 4 C LIG 1 -3.088 -3.312 0.610 0.00 0.00 +0.164 C ATOM 5 O LIG 1 -2.293 -3.981 -0.356 0.00 0.00 -0.379 OA ATOM 6 C LIG 1 -2.094 -3.210 -1.540 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -2.061 -1.700 -1.295 0.00 0.00 +0.078 C ATOM 8 O LIG 1 -0.164 -1.938 0.097 0.00 0.00 -0.481 OA ATOM 9 C LIG 1 0.715 -1.446 1.022 0.00 0.00 +0.143 A ATOM 10 C LIG 1 1.300 -0.175 0.898 0.00 0.00 +0.079 A ATOM 11 C LIG 1 2.309 0.180 1.803 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.725 -0.709 2.799 0.00 0.00 +0.002 A ATOM 13 C LIG 1 2.150 -1.972 2.894 0.00 0.00 +0.004 A ATOM 14 N LIG 1 0.903 0.715 -0.146 0.00 0.00 -0.262 N ATOM 15 C LIG 1 1.155 -2.346 1.995 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -0.430 0.869 -0.515 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -0.796 1.587 -1.455 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -3.590 1.336 1.023 0.00 0.00 +0.230 C ATOM 19 N LIG 1 -2.777 0.814 0.043 0.00 0.00 -0.299 N ATOM 20 H LIG 1 -2.819 1.241 -0.881 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -3.401 1.139 2.221 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.758 2.191 0.484 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.247 3.599 0.193 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.615 1.031 1.540 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -5.852 2.272 1.475 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -5.421 2.430 2.392 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 14 27 ATOM 27 C LIG 1 1.899 1.570 -0.810 0.00 0.00 +0.153 C BRANCH 27 28 ATOM 28 C LIG 1 3.182 0.877 -1.246 0.00 0.00 +0.023 A ATOM 29 C LIG 1 4.475 1.346 -0.850 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.598 0.600 -1.282 0.00 0.00 +0.072 A ATOM 31 C LIG 1 6.873 1.000 -0.909 0.00 0.00 +0.028 A ATOM 32 C LIG 1 7.095 2.130 -0.123 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.014 2.886 0.299 0.00 0.00 +0.001 A ATOM 34 N LIG 1 5.503 -0.490 -2.052 0.00 0.00 -0.251 NA ATOM 35 C LIG 1 4.273 -0.883 -2.446 0.00 0.00 +0.157 A ATOM 36 C LIG 1 4.721 2.501 -0.060 0.00 0.00 +0.010 A ATOM 37 C LIG 1 3.094 -0.250 -2.086 0.00 0.00 +0.143 A BRANCH 37 38 ATOM 38 O LIG 1 1.851 -0.618 -2.522 0.00 0.00 -0.493 OA ATOM 39 C LIG 1 1.714 -1.949 -3.005 0.00 0.00 +0.277 C ENDBRANCH 37 38 ENDBRANCH 27 28 ENDBRANCH 14 27 TORSDOF 6