REMARK Name = BDB064047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.276 -0.643 -0.724 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 2.417 -0.007 -1.797 0.00 0.00 +0.094 C ATOM 3 C LIG 1 1.157 -0.862 -1.902 0.00 0.00 +0.050 C ATOM 4 C LIG 1 -0.326 -0.908 -1.982 0.00 0.00 +0.026 A ATOM 5 N LIG 1 -0.877 -1.755 -0.989 0.00 0.00 -0.311 N ATOM 6 C LIG 1 0.037 -2.493 -0.030 0.00 0.00 +0.130 C ATOM 7 C LIG 1 1.567 -2.600 -0.430 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -2.257 -1.897 -0.826 0.00 0.00 +0.259 A ATOM 9 O LIG 1 -2.756 -2.626 0.032 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 -3.118 -1.120 -1.791 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -2.537 -0.364 -2.741 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -1.105 -0.239 -2.837 0.00 0.00 +0.022 A ATOM 13 C LIG 1 1.608 -2.331 -1.916 0.00 0.00 +0.017 C ATOM 14 C LIG 1 2.533 -1.529 0.251 0.00 0.00 +0.090 C ENDROOT BRANCH 1 20 ATOM 15 C LIG 1 8.440 2.088 2.007 0.00 0.00 +0.109 C ATOM 16 C LIG 1 7.051 2.634 1.801 0.00 0.00 +0.212 C ATOM 17 N LIG 1 6.044 1.726 1.497 0.00 0.00 -0.302 N ATOM 18 C LIG 1 4.687 2.252 1.380 0.00 0.00 +0.109 C ATOM 19 C LIG 1 3.656 1.193 0.990 0.00 0.00 +0.038 C ATOM 20 C LIG 1 4.225 0.314 -0.130 0.00 0.00 +0.060 C ATOM 21 C LIG 1 5.519 -0.396 0.323 0.00 0.00 +0.038 C ATOM 22 C LIG 1 6.189 0.274 1.523 0.00 0.00 +0.109 C ATOM 23 O LIG 1 6.839 3.843 1.894 0.00 0.00 -0.276 OA ENDBRANCH 1 20 BRANCH 10 24 ATOM 24 C LIG 1 -4.587 -1.185 -1.705 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -5.362 -0.165 -1.108 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -6.763 -0.308 -1.085 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -7.382 -1.435 -1.629 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.613 -2.438 -2.207 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.225 -2.314 -2.245 0.00 0.00 +0.009 A BRANCH 25 30 ATOM 30 C LIG 1 -4.755 1.092 -0.503 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -3.733 0.849 0.525 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 -3.094 2.105 0.967 0.00 0.00 +0.113 C ATOM 33 C LIG 1 -3.970 2.957 1.901 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -4.410 2.208 3.040 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -5.114 1.026 2.634 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -4.251 0.144 1.718 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 10 24 TORSDOF 4