REMARK Name = BDB000468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.611 1.379 -1.999 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 1.088 1.373 -0.655 0.00 0.00 -0.492 OA BRANCH 2 6 ATOM 3 C LIG 1 4.831 -0.253 0.315 0.00 0.00 -0.011 A ATOM 4 C LIG 1 3.973 0.310 1.271 0.00 0.00 +0.012 A ATOM 5 C LIG 1 2.733 0.841 0.901 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.319 0.823 -0.431 0.00 0.00 +0.121 A ATOM 7 C LIG 1 3.160 0.269 -1.394 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.402 -0.264 -1.023 0.00 0.00 +0.012 A BRANCH 3 12 ATOM 9 C LIG 1 8.506 -1.967 1.381 0.00 0.00 +0.321 A ATOM 10 N LIG 1 8.318 -0.689 1.723 0.00 0.00 -0.159 NA ATOM 11 C LIG 1 7.133 -0.147 1.373 0.00 0.00 +0.228 A ATOM 12 C LIG 1 6.127 -0.828 0.698 0.00 0.00 +0.062 A ATOM 13 C LIG 1 6.454 -2.141 0.407 0.00 0.00 +0.130 A ATOM 14 N LIG 1 7.622 -2.735 0.728 0.00 0.00 -0.203 NA BRANCH 9 16 ATOM 15 C LIG 1 9.890 -3.847 1.384 0.00 0.00 +0.280 C ATOM 16 O LIG 1 9.727 -2.485 1.754 0.00 0.00 -0.466 OA ENDBRANCH 9 16 BRANCH 11 17 ATOM 17 O LIG 1 6.901 1.182 1.689 0.00 0.00 -0.479 OA ATOM 18 C LIG 1 7.990 1.811 2.356 0.00 0.00 +0.279 C ENDBRANCH 11 17 ENDBRANCH 3 12 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.769 2.026 -2.029 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 -1.779 1.270 -1.169 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 -3.054 1.887 -1.354 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -4.113 1.342 -0.679 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -5.340 1.965 -0.930 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -6.479 1.486 -0.302 0.00 0.00 -0.040 A ATOM 25 C LIG 1 -7.871 2.027 -0.397 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -8.686 0.844 0.145 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -7.775 0.122 1.162 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -6.415 0.402 0.580 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -5.204 -0.212 0.852 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.051 0.258 0.210 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 -8.138 -1.335 1.424 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 -8.006 -2.238 0.227 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -8.785 -2.322 -0.707 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.902 -3.009 0.269 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -6.934 -3.508 -0.574 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12