REMARK Name = BDB052623 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.190 -2.071 -0.947 0.00 0.00 +0.111 A ATOM 2 N LIG 1 1.068 -1.171 0.094 0.00 0.00 -0.323 N ATOM 3 C LIG 1 1.984 -0.159 -0.110 0.00 0.00 +0.070 A ATOM 4 C LIG 1 2.608 -0.499 -1.305 0.00 0.00 +0.089 A ATOM 5 C LIG 1 3.599 0.341 -1.835 0.00 0.00 +0.030 A ATOM 6 C LIG 1 3.943 1.508 -1.141 0.00 0.00 +0.014 A ATOM 7 C LIG 1 3.320 1.824 0.072 0.00 0.00 +0.024 A ATOM 8 C LIG 1 2.312 1.001 0.605 0.00 0.00 +0.039 A ATOM 9 N LIG 1 2.114 -1.675 -1.800 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.657 3.067 0.814 0.00 0.00 +0.193 C ATOM 11 O LIG 1 2.762 3.668 1.404 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 5.044 3.595 0.860 0.00 0.00 +0.022 A ATOM 13 C LIG 1 5.227 4.982 0.918 0.00 0.00 +0.012 A ATOM 14 C LIG 1 6.515 5.516 0.974 0.00 0.00 +0.001 A ATOM 15 C LIG 1 7.621 4.667 0.984 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.443 3.283 0.948 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.156 2.744 0.893 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 7 10 BRANCH 1 18 ATOM 18 C LIG 1 0.386 -3.324 -1.093 0.00 0.00 +0.074 C BRANCH 18 20 ATOM 19 C LIG 1 0.279 -5.791 -0.599 0.00 0.00 +0.004 C ATOM 20 C LIG 1 1.094 -4.516 -0.450 0.00 0.00 +0.004 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.178 -1.284 1.242 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -1.244 -0.881 0.928 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -2.304 -1.714 1.311 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.628 -1.357 1.041 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -3.934 -0.156 0.384 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -2.872 0.689 0.030 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -1.546 0.336 0.302 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -5.326 0.210 0.070 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -6.185 -0.596 -0.709 0.00 0.00 +0.067 A ATOM 30 C LIG 1 -7.520 -0.223 -0.931 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -8.013 0.970 -0.408 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.178 1.788 0.346 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.853 1.411 0.584 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 C LIG 1 -5.758 -1.875 -1.323 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -6.382 -2.912 -1.182 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.672 -1.756 -2.114 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -4.280 -0.862 -2.135 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9