REMARK Name = BDB006451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.146 -1.165 1.745 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.802 -2.077 0.736 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.445 -2.404 0.516 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.220 -3.269 -0.408 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.580 -3.188 -0.144 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.756 -2.301 0.901 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.715 -3.881 -0.821 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.420 -4.105 -1.461 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.529 -1.815 1.325 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.195 -0.911 2.348 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.153 -0.601 2.547 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.397 -0.807 0.907 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -3.952 -0.802 -0.000 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.564 -0.789 2.005 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -3.905 -0.464 3.136 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.758 -0.283 0.901 0.00 0.00 +0.104 C ATOM 17 C LIG 1 -6.657 -0.875 1.993 0.00 0.00 +0.033 C BRANCH 16 19 ATOM 18 C LIG 1 -5.734 1.888 -0.441 0.00 0.00 +0.125 A ATOM 19 C LIG 1 -5.753 1.237 0.812 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -5.718 2.022 1.979 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -5.700 3.414 1.911 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.706 4.046 0.674 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.718 3.288 -0.498 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 -5.758 1.697 -2.823 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.720 1.073 -1.546 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 3.040 -1.965 1.519 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.866 -1.009 0.692 0.00 0.00 -0.028 A ATOM 28 C LIG 1 5.213 -1.294 0.432 0.00 0.00 +0.006 A ATOM 29 C LIG 1 6.002 -0.407 -0.309 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.472 0.793 -0.806 0.00 0.00 -0.018 A ATOM 31 C LIG 1 4.126 1.079 -0.532 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.335 0.195 0.211 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 6.302 1.723 -1.589 0.00 0.00 -0.018 A ATOM 34 C LIG 1 5.898 2.156 -2.863 0.00 0.00 +0.008 A ATOM 35 C LIG 1 6.686 3.037 -3.608 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.892 3.502 -3.090 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.311 3.087 -1.828 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.522 2.204 -1.085 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 7