REMARK Name = BDB010788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.477 -1.232 0.871 0.00 0.00 +0.139 A ATOM 2 N LIG 1 0.462 -0.464 0.315 0.00 0.00 -0.320 N ATOM 3 C LIG 1 -0.743 -0.985 0.752 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.369 -2.054 1.553 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.226 -2.881 2.170 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.500 -2.568 1.908 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.962 -1.555 1.154 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.099 -0.711 0.561 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.981 -2.178 1.641 0.00 0.00 -0.208 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.508 -3.446 2.541 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.097 -4.479 3.296 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.146 -4.745 3.495 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.196 -5.098 3.742 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.224 -6.084 4.461 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.296 -4.436 3.254 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.797 -3.349 2.465 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 3.554 -0.451 1.632 0.00 0.00 +0.016 C ATOM 18 C LIG 1 2.859 -0.973 0.602 0.00 0.00 -0.009 C BRANCH 18 19 ATOM 19 C LIG 1 3.541 -1.367 -0.709 0.00 0.00 +0.022 C ATOM 20 C LIG 1 4.414 -0.252 -1.315 0.00 0.00 +0.008 C ATOM 21 C LIG 1 5.042 -0.694 -2.636 0.00 0.00 +0.001 C ATOM 22 C LIG 1 5.840 -1.983 -2.473 0.00 0.00 +0.000 C ATOM 23 C LIG 1 4.994 -3.096 -1.863 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.353 -2.665 -0.545 0.00 0.00 +0.008 C ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 -2.563 0.355 -0.192 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.998 1.182 -0.058 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.994 0.682 -0.287 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -4.572 1.121 1.057 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -4.841 -0.418 -0.927 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -6.200 0.026 -1.542 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.950 -1.008 -2.658 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.444 -0.850 -2.367 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 0.641 0.640 -0.615 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.116 1.959 0.026 0.00 0.00 +0.009 C ATOM 35 C LIG 1 0.122 2.552 1.029 0.00 0.00 +0.005 C ATOM 36 C LIG 1 0.711 3.775 1.743 0.00 0.00 +0.003 C ATOM 37 C LIG 1 1.534 4.702 0.830 0.00 0.00 -0.014 C ATOM 38 C LIG 1 3.033 4.602 1.132 0.00 0.00 +0.007 C ATOM 39 C LIG 1 1.242 4.443 -0.650 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.455 2.987 -1.072 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8