REMARK Name = BDB006474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.234 -2.564 1.198 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.790 -1.632 0.177 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.293 -0.331 -0.147 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.111 0.200 -1.146 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.895 1.485 -1.675 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.180 2.233 -1.184 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.024 1.719 -0.200 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.079 -0.751 -1.426 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.787 0.444 0.335 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.884 -1.872 -0.641 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.762 -3.076 -0.711 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.152 2.569 0.275 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.255 1.902 0.764 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.339 0.909 0.597 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.085 3.790 0.189 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.455 2.611 1.179 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.256 3.311 2.527 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.628 1.647 1.199 0.00 0.00 -0.027 A ATOM 19 C LIG 1 5.743 0.642 2.170 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.821 -0.247 2.147 0.00 0.00 +0.046 A ATOM 21 C LIG 1 7.802 -0.159 1.159 0.00 0.00 +0.121 A ATOM 22 C LIG 1 7.688 0.825 0.180 0.00 0.00 +0.046 A ATOM 23 C LIG 1 6.609 1.719 0.199 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 O LIG 1 8.791 -1.096 1.259 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 9.934 -1.002 0.403 0.00 0.00 +0.167 C ATOM 26 C LIG 1 11.104 -1.621 1.165 0.00 0.00 +0.051 C ATOM 27 C LIG 1 9.682 -1.778 -0.886 0.00 0.00 +0.051 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -3.120 -0.600 -2.444 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -4.487 -0.339 -1.857 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -5.580 -1.121 -2.256 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -6.857 -0.881 -1.738 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -7.076 0.151 -0.813 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -5.985 0.943 -0.430 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.707 0.704 -0.947 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -8.420 0.404 -0.272 0.00 0.00 -0.004 A ATOM 36 C LIG 1 -9.084 -0.487 0.595 0.00 0.00 +0.067 A ATOM 37 C LIG 1 -10.399 -0.240 1.016 0.00 0.00 +0.015 A ATOM 38 C LIG 1 -11.059 0.916 0.608 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -10.412 1.823 -0.228 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -9.109 1.568 -0.665 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 -8.453 -1.723 1.095 0.00 0.00 +0.337 C ATOM 42 O LIG 1 -8.937 -2.838 1.049 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 -7.289 -1.467 1.714 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 -6.968 -2.342 2.014 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10