REMARK Name = BDB013898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.775 -1.032 0.054 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -2.682 0.241 -0.817 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -3.696 0.716 -1.343 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.416 0.822 -0.958 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.199 0.160 -0.599 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -0.017 -1.216 -0.839 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.190 -1.829 -0.468 0.00 0.00 +0.009 A ATOM 8 C LIG 1 2.221 -1.088 0.115 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.057 0.276 0.334 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -1.061 -2.029 -1.560 0.00 0.00 +0.039 C ATOM 11 C LIG 1 0.852 0.889 -0.023 0.00 0.00 +0.069 A ATOM 12 C LIG 1 -2.304 -2.267 -0.713 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.622 -0.678 1.669 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -4.159 -1.209 0.481 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -4.871 -1.281 -0.242 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -3.878 -0.267 2.556 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -6.164 -0.579 1.739 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -6.655 -0.345 3.166 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -6.650 -2.993 1.740 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -6.824 -1.718 1.048 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -7.824 -1.518 0.994 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.328 2.095 -1.682 0.00 0.00 +0.148 C BRANCH 22 23 ATOM 23 C LIG 1 -0.900 1.906 -3.123 0.00 0.00 -0.030 A ATOM 24 C LIG 1 0.439 2.086 -3.501 0.00 0.00 +0.005 A ATOM 25 C LIG 1 0.833 1.885 -4.824 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -0.103 1.502 -5.784 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -1.435 1.317 -5.419 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.832 1.514 -4.096 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 4 22 BRANCH 9 29 ATOM 29 O LIG 1 2.979 1.119 0.890 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 4.252 0.564 1.227 0.00 0.00 +0.233 C BRANCH 30 31 ATOM 31 C LIG 1 5.126 1.690 1.778 0.00 0.00 +0.076 C BRANCH 31 32 ATOM 32 C LIG 1 6.517 1.216 2.110 0.00 0.00 -0.044 A ATOM 33 C LIG 1 6.817 0.728 3.389 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.101 0.268 3.685 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.094 0.287 2.706 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.804 0.766 1.430 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.521 1.227 1.132 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 9 29 TORSDOF 9