REMARK Name = BDB010790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.621 -1.285 -0.484 0.00 0.00 +0.116 A ATOM 2 N LIG 1 -0.624 -0.362 -0.206 0.00 0.00 -0.323 N ATOM 3 C LIG 1 0.593 -0.964 -0.466 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.247 -2.217 -0.945 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.123 -3.160 -1.323 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.389 -2.756 -1.162 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.826 -1.572 -0.695 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.942 -0.623 -0.334 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.101 -2.396 -0.966 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.419 -3.743 -1.552 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.034 -4.947 -2.009 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.090 -5.278 -2.125 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.148 -5.634 -2.287 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.200 -6.771 -2.725 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.231 -4.841 -1.996 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.705 -3.598 -1.513 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -3.923 -1.758 -1.335 0.00 0.00 +0.016 C ATOM 18 C LIG 1 -3.099 -1.081 -0.232 0.00 0.00 +0.055 C BRANCH 18 19 ATOM 19 C LIG 1 -3.470 -1.538 1.204 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -4.814 -0.938 1.669 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -5.465 -1.763 2.777 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -4.465 -2.371 3.584 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 -3.748 -3.393 2.886 0.00 0.00 +0.160 C ATOM 24 C LIG 1 -3.494 -3.057 1.414 0.00 0.00 +0.032 C ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 2.384 0.591 0.160 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.770 1.363 -0.050 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.800 0.982 0.144 0.00 0.00 +0.072 C ATOM 28 C LIG 1 4.338 1.122 -1.279 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 4.701 0.085 0.994 0.00 0.00 +0.009 C ATOM 30 C LIG 1 4.343 -0.027 2.503 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.858 -0.060 2.787 0.00 0.00 +0.001 C ATOM 32 C LIG 1 6.049 0.706 1.462 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.815 0.972 0.342 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -0.691 2.095 -0.712 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.440 3.463 -0.039 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.699 4.320 0.036 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.289 4.612 -1.356 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.788 5.948 -1.909 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.009 3.482 -2.362 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.905 2.134 -1.660 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8