REMARK Name = BDB049372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.339 -1.554 0.003 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -1.235 -0.813 -0.741 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -2.509 -1.226 -0.416 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -2.310 -2.232 0.523 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -3.415 -2.893 1.079 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.705 -2.518 0.675 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.877 -1.500 -0.273 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.783 -0.831 -0.837 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.976 -2.420 0.767 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.855 -3.199 1.232 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.881 -2.587 1.919 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -7.187 -1.199 2.315 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.784 -3.529 2.304 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.362 -4.777 1.890 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.202 -4.576 1.251 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.468 -5.724 0.669 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 1.148 -1.391 -0.031 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 1.663 -0.766 1.269 0.00 0.00 +0.043 C BRANCH 18 22 ATOM 19 C LIG 1 5.805 0.407 0.839 0.00 0.00 +0.121 A ATOM 20 C LIG 1 4.788 1.352 0.707 0.00 0.00 +0.046 A ATOM 21 C LIG 1 3.450 0.973 0.860 0.00 0.00 +0.007 A ATOM 22 C LIG 1 3.109 -0.355 1.145 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.131 -1.301 1.272 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.466 -0.919 1.119 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 7.146 0.634 0.707 0.00 0.00 -0.492 OA BRANCH 25 27 ATOM 26 C LIG 1 7.660 2.382 -0.893 0.00 0.00 +0.048 C ATOM 27 C LIG 1 7.607 1.977 0.570 0.00 0.00 +0.225 C ENDBRANCH 25 27 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 28 ATOM 28 C LIG 1 -0.911 0.233 -1.698 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 C LIG 1 -0.727 1.592 -1.007 0.00 0.00 +0.106 C BRANCH 29 30 ATOM 30 N LIG 1 -0.290 2.660 -1.926 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 -0.347 3.991 -1.278 0.00 0.00 +0.112 C ATOM 32 C LIG 1 0.987 4.429 -0.654 0.00 0.00 +0.175 C ATOM 33 O LIG 1 2.070 4.485 -1.593 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 1.841 3.698 -2.768 0.00 0.00 +0.175 C ATOM 35 C LIG 1 1.073 2.405 -2.455 0.00 0.00 +0.112 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 9