REMARK Name = BDB011454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.173 0.331 -1.082 0.00 0.00 +0.204 C ATOM 2 C LIG 1 -2.093 1.545 -1.329 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -2.254 1.784 -2.853 0.00 0.00 +0.078 C ATOM 4 C LIG 1 -3.634 2.319 -3.229 0.00 0.00 +0.164 C ATOM 5 O LIG 1 -4.118 3.203 -2.231 0.00 0.00 -0.379 OA ATOM 6 C LIG 1 -4.403 2.546 -0.997 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -3.495 1.345 -0.716 0.00 0.00 +0.078 C ATOM 8 O LIG 1 -1.595 2.748 -0.696 0.00 0.00 -0.481 OA ATOM 9 C LIG 1 -0.247 2.974 -0.750 0.00 0.00 +0.143 A ATOM 10 C LIG 1 0.681 2.243 0.015 0.00 0.00 +0.079 A ATOM 11 C LIG 1 2.010 2.693 0.039 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.405 3.819 -0.690 0.00 0.00 +0.002 A ATOM 13 C LIG 1 1.472 4.533 -1.435 0.00 0.00 +0.004 A ATOM 14 N LIG 1 0.280 1.104 0.783 0.00 0.00 -0.262 N ATOM 15 C LIG 1 0.143 4.121 -1.449 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -0.760 0.263 0.397 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -1.293 -0.553 1.157 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -0.962 -1.995 -1.865 0.00 0.00 +0.230 C ATOM 19 N LIG 1 -1.778 -0.970 -1.417 0.00 0.00 -0.299 N ATOM 20 H LIG 1 -2.497 -1.260 -0.763 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 0.193 -1.786 -2.240 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -1.624 -3.399 -1.957 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -2.504 -3.759 -0.760 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 0.232 -4.767 -1.073 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -0.590 -4.429 -2.233 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 0.033 -4.035 -2.945 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 14 27 ATOM 27 C LIG 1 0.961 0.802 2.044 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 2.090 -0.217 1.965 0.00 0.00 -0.019 A ATOM 29 C LIG 1 2.885 -0.497 3.113 0.00 0.00 +0.005 A ATOM 30 C LIG 1 3.924 -1.450 2.977 0.00 0.00 +0.071 A ATOM 31 C LIG 1 4.722 -1.741 4.075 0.00 0.00 +0.028 A ATOM 32 C LIG 1 4.531 -1.127 5.313 0.00 0.00 +0.002 A ATOM 33 C LIG 1 3.515 -0.197 5.465 0.00 0.00 +0.001 A ATOM 34 N LIG 1 4.180 -2.095 1.830 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 3.403 -1.824 0.765 0.00 0.00 +0.112 A ATOM 36 C LIG 1 2.698 0.115 4.378 0.00 0.00 +0.010 A ATOM 37 C LIG 1 2.367 -0.912 0.780 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 14 27 TORSDOF 5