REMARK Name = BDB059151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.500 0.856 1.091 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.450 1.118 2.079 0.00 0.00 -0.287 N ATOM 3 C LIG 1 1.253 0.194 2.897 0.00 0.00 +0.159 C ATOM 4 C LIG 1 0.574 -1.022 3.511 0.00 0.00 +0.038 C ATOM 5 C LIG 1 2.610 -0.120 2.216 0.00 0.00 +0.237 C ATOM 6 O LIG 1 3.229 -1.151 2.486 0.00 0.00 -0.274 OA ATOM 7 N LIG 1 3.144 0.881 1.393 0.00 0.00 -0.287 N ATOM 8 C LIG 1 2.403 2.114 1.044 0.00 0.00 +0.127 C ATOM 9 C LIG 1 1.172 2.381 1.916 0.00 0.00 +0.127 C ATOM 10 O LIG 1 -0.930 1.799 0.411 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -1.041 -0.583 0.833 0.00 0.00 +0.162 C BRANCH 11 15 ATOM 12 C LIG 1 -3.945 0.118 -1.660 0.00 0.00 +0.141 C ATOM 13 C LIG 1 -2.504 -0.174 -1.163 0.00 0.00 +0.233 C ATOM 14 O LIG 1 -1.557 -0.107 -1.947 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 -2.378 -0.511 0.194 0.00 0.00 -0.287 N ATOM 16 C LIG 1 -3.505 -0.194 1.067 0.00 0.00 +0.123 C ATOM 17 C LIG 1 -4.873 -0.585 0.484 0.00 0.00 +0.100 C ATOM 18 N LIG 1 -4.918 -0.761 -0.970 0.00 0.00 -0.304 NA ATOM 19 H LIG 1 -4.637 -1.722 -1.178 0.00 0.00 +0.123 HD BRANCH 12 20 ATOM 20 C LIG 1 -4.243 1.628 -1.600 0.00 0.00 +0.031 C BRANCH 20 22 ATOM 21 C LIG 1 -6.807 1.769 -1.588 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -5.514 2.134 -2.315 0.00 0.00 -0.015 C ATOM 23 C LIG 1 -5.583 1.704 -3.780 0.00 0.00 +0.007 C ENDBRANCH 20 22 ENDBRANCH 12 20 ENDBRANCH 11 15 BRANCH 11 24 ATOM 24 C LIG 1 -0.007 -1.477 0.111 0.00 0.00 +0.035 C BRANCH 24 25 ATOM 25 C LIG 1 -0.296 -2.994 0.173 0.00 0.00 -0.015 C ATOM 26 C LIG 1 -1.470 -3.424 -0.707 0.00 0.00 +0.007 C ATOM 27 C LIG 1 0.959 -3.769 -0.245 0.00 0.00 +0.007 C ENDBRANCH 24 25 ENDBRANCH 11 24 ENDBRANCH 1 11 BRANCH 7 28 ATOM 28 C LIG 1 4.533 0.718 0.904 0.00 0.00 +0.162 C BRANCH 28 29 ATOM 29 C LIG 1 5.482 1.464 1.873 0.00 0.00 +0.231 C ATOM 30 O LIG 1 5.146 2.417 2.570 0.00 0.00 -0.274 OA ATOM 31 N LIG 1 6.778 1.034 1.886 0.00 0.00 -0.328 N ATOM 32 H LIG 1 7.401 1.436 2.572 0.00 0.00 +0.145 HD ATOM 33 H LIG 1 7.057 0.150 1.460 0.00 0.00 +0.145 HD ENDBRANCH 28 29 BRANCH 28 34 ATOM 34 C LIG 1 4.699 1.166 -0.564 0.00 0.00 +0.041 C BRANCH 34 35 ATOM 35 C LIG 1 6.050 0.859 -1.206 0.00 0.00 +0.098 C BRANCH 35 36 ATOM 36 C LIG 1 6.450 -0.587 -1.046 0.00 0.00 +0.211 C ATOM 37 O LIG 1 7.162 -0.972 -0.124 0.00 0.00 -0.276 OA ATOM 38 N LIG 1 5.933 -1.451 -1.956 0.00 0.00 -0.329 N ATOM 39 H LIG 1 5.140 -1.214 -2.534 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 6.111 -2.436 -1.798 0.00 0.00 +0.145 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 7 28 TORSDOF 11