REMARK Name = BDB003272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.719 -0.549 -0.460 0.00 0.00 +0.099 C ATOM 2 N LIG 1 -0.246 -1.073 -1.147 0.00 0.00 -0.258 NA ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.520 -1.014 -0.544 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -2.341 0.141 -0.622 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -3.603 0.129 0.022 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -4.425 1.267 -0.032 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -4.019 2.413 -0.716 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.788 2.433 -1.361 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -4.024 -1.023 0.706 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -3.219 -2.159 0.756 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -1.960 1.310 -1.316 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -1.976 -2.154 0.130 0.00 0.00 +0.028 A ENDBRANCH 2 3 BRANCH 1 15 ATOM 13 O LIG 1 2.403 1.829 -1.016 0.00 0.00 -0.289 OA ATOM 14 C LIG 1 2.854 0.744 -0.652 0.00 0.00 +0.198 C ATOM 15 C LIG 1 2.132 -0.560 -0.990 0.00 0.00 +0.126 C ATOM 16 C LIG 1 2.810 -1.797 -0.449 0.00 0.00 -0.010 C ATOM 17 C LIG 1 3.955 -1.773 0.247 0.00 0.00 -0.001 C ATOM 18 C LIG 1 4.620 -0.526 0.531 0.00 0.00 +0.036 C ATOM 19 C LIG 1 4.106 0.640 0.118 0.00 0.00 +0.169 C BRANCH 19 20 ATOM 20 N LIG 1 4.810 1.835 0.472 0.00 0.00 +0.060 N ATOM 21 O LIG 1 5.949 1.974 0.006 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 4.253 2.603 1.265 0.00 0.00 -0.126 OA ENDBRANCH 19 20 ENDBRANCH 1 15 TORSDOF 3