REMARK Name = BDB001370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.524 -1.815 -0.660 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.299 -0.804 -1.397 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -3.645 -1.112 -1.483 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -4.518 -0.526 -2.095 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.868 -2.310 -0.681 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -5.062 -2.956 -0.414 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -5.016 -4.071 0.422 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.795 -4.501 0.968 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.602 -3.827 0.680 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -2.644 -2.725 -0.166 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -0.557 -2.643 -1.530 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.688 -2.706 -2.932 0.00 0.00 +0.008 A ATOM 13 C LIG 1 0.171 -3.491 -3.707 0.00 0.00 +0.000 A ATOM 14 C LIG 1 1.167 -4.248 -3.098 0.00 0.00 +0.000 A ATOM 15 C LIG 1 1.296 -4.233 -1.713 0.00 0.00 +0.000 A ATOM 16 C LIG 1 0.436 -3.450 -0.939 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -0.997 -1.235 0.536 0.00 0.00 -0.347 OA BRANCH 17 18 ATOM 18 C LIG 1 0.253 -0.557 0.463 0.00 0.00 +0.168 C BRANCH 18 19 ATOM 19 C LIG 1 0.438 0.233 1.759 0.00 0.00 +0.063 C BRANCH 19 23 ATOM 20 C LIG 1 4.260 2.247 1.865 0.00 0.00 +0.161 A ATOM 21 C LIG 1 3.154 2.865 1.247 0.00 0.00 +0.162 A ATOM 22 C LIG 1 1.918 2.207 1.223 0.00 0.00 +0.053 A ATOM 23 C LIG 1 1.767 0.942 1.809 0.00 0.00 -0.042 A ATOM 24 C LIG 1 2.871 0.335 2.413 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.108 0.983 2.443 0.00 0.00 +0.049 A BRANCH 20 27 ATOM 26 C LIG 1 6.559 2.385 2.503 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.437 2.955 1.846 0.00 0.00 -0.491 OA ENDBRANCH 20 27 BRANCH 21 28 ATOM 28 O LIG 1 3.386 4.105 0.702 0.00 0.00 -0.491 OA ATOM 29 C LIG 1 2.302 4.747 0.048 0.00 0.00 +0.277 C ENDBRANCH 21 28 ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -1.739 0.344 -2.085 0.00 0.00 +0.146 C BRANCH 30 31 ATOM 31 C LIG 1 -1.781 1.659 -1.333 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -1.126 2.768 -1.895 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -1.155 4.014 -1.266 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.834 4.170 -0.061 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.492 3.083 0.507 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.472 1.838 -0.127 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9