REMARK Name = BDB047630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.477 -1.632 -1.707 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.703 -0.987 -0.559 0.00 0.00 +0.179 C ATOM 3 O LIG 1 -2.704 -0.168 -1.163 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 -1.665 0.201 -0.357 0.00 0.00 +0.145 A ATOM 5 C LIG 1 -1.667 0.358 1.032 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -0.459 0.706 1.663 0.00 0.00 +0.030 A ATOM 7 C LIG 1 0.715 0.930 0.934 0.00 0.00 +0.048 A ATOM 8 C LIG 1 0.701 0.818 -0.450 0.00 0.00 +0.125 A ATOM 9 N LIG 1 -2.767 0.223 1.899 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -2.589 0.334 2.891 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -4.088 0.011 1.663 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -4.856 -0.036 2.628 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -0.487 0.450 -1.081 0.00 0.00 +0.093 A ATOM 14 C LIG 1 -4.612 -0.104 0.266 0.00 0.00 +0.140 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 1.764 1.002 -1.288 0.00 0.00 -0.487 OA BRANCH 15 16 ATOM 16 C LIG 1 2.935 1.643 -0.774 0.00 0.00 +0.266 C BRANCH 16 17 ATOM 17 C LIG 1 3.900 0.687 -0.126 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.774 1.137 0.860 0.00 0.00 +0.117 A ATOM 19 N LIG 1 5.687 0.358 1.482 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 5.747 -0.934 1.094 0.00 0.00 +0.111 A ATOM 21 C LIG 1 4.939 -1.479 0.111 0.00 0.00 +0.020 A ATOM 22 C LIG 1 4.007 -0.653 -0.510 0.00 0.00 +0.010 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 TORSDOF 3