REMARK Name = BDB024205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.910 0.129 -2.784 0.00 0.00 -0.269 N ATOM 2 H LIG 1 2.107 0.722 -3.579 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 3.012 -0.588 -2.421 0.00 0.00 +0.240 C ATOM 4 O LIG 1 4.036 -0.363 -3.085 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -2.007 0.364 -1.285 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.999 -0.430 -0.730 0.00 0.00 +0.136 A ATOM 7 N LIG 1 0.281 -0.540 -1.179 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 0.620 0.169 -2.262 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -0.295 0.994 -2.901 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -1.603 1.085 -2.410 0.00 0.00 +0.028 A BRANCH 5 14 ATOM 11 C LIG 1 -6.031 0.671 0.355 0.00 0.00 +0.069 C ATOM 12 C LIG 1 -5.716 0.311 -1.113 0.00 0.00 +0.053 C ATOM 13 C LIG 1 -4.409 0.946 -1.579 0.00 0.00 +0.108 C ATOM 14 N LIG 1 -3.292 0.431 -0.775 0.00 0.00 -0.329 N ATOM 15 C LIG 1 -3.564 0.085 0.624 0.00 0.00 +0.108 C ATOM 16 C LIG 1 -4.734 0.909 1.155 0.00 0.00 +0.053 C ATOM 17 C LIG 1 -6.864 -0.470 0.963 0.00 0.00 +0.041 C BRANCH 11 19 ATOM 18 C LIG 1 -7.330 2.373 1.523 0.00 0.00 +0.194 C ATOM 19 O LIG 1 -6.803 1.888 0.295 0.00 0.00 -0.377 OA ENDBRANCH 11 19 ENDBRANCH 5 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.989 -1.633 -1.267 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 2.710 -3.022 -1.840 0.00 0.00 -0.022 A ATOM 22 C LIG 1 3.612 -3.637 -2.724 0.00 0.00 +0.005 A ATOM 23 C LIG 1 3.351 -4.907 -3.242 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.185 -5.579 -2.883 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.280 -4.982 -2.007 0.00 0.00 +0.000 A ATOM 26 C LIG 1 1.540 -3.713 -1.488 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 4.295 -1.646 -0.539 0.00 0.00 -0.302 NA ATOM 28 H LIG 1 4.391 -2.570 -0.118 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 4.369 -0.651 0.538 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 4.446 0.809 0.072 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 4.645 1.753 1.236 0.00 0.00 -0.046 A ATOM 32 C LIG 1 3.540 2.260 1.933 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.723 3.119 3.019 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.014 3.477 3.421 0.00 0.00 +0.052 A ATOM 35 C LIG 1 6.120 2.970 2.732 0.00 0.00 +0.019 A ATOM 36 C LIG 1 5.936 2.111 1.646 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 5.201 4.358 4.536 0.00 0.00 +0.099 C ATOM 38 N LIG 1 5.350 5.071 5.440 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 20 TORSDOF 10