REMARK Name = BDB025289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.005 1.070 0.320 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -5.936 1.304 -0.664 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -5.281 1.293 -1.890 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -6.054 1.528 -3.041 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -7.420 1.751 -2.875 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -7.950 1.727 -1.594 0.00 0.00 +0.113 A ATOM 7 C LIG 1 -3.907 1.014 -1.632 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.771 0.869 -2.459 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -1.512 0.551 -1.922 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -1.401 0.455 -0.534 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -2.506 0.595 0.320 0.00 0.00 +0.028 A ATOM 12 N LIG 1 -7.253 1.503 -0.458 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -3.756 0.872 -0.251 0.00 0.00 +0.052 A ENDROOT BRANCH 1 20 ATOM 14 O LIG 1 -9.254 0.160 2.671 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -8.067 0.372 2.433 0.00 0.00 +0.219 C ATOM 16 N LIG 1 -7.527 1.622 2.592 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -8.176 2.347 2.864 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -6.272 2.054 2.230 0.00 0.00 +0.242 C ATOM 19 O LIG 1 -5.977 3.247 2.313 0.00 0.00 -0.273 OA ATOM 20 C LIG 1 -5.287 1.000 1.753 0.00 0.00 +0.176 C ATOM 21 C LIG 1 -5.689 -0.399 2.224 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -7.146 -0.710 1.921 0.00 0.00 +0.099 C ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 N LIG 1 -0.422 0.476 -2.792 0.00 0.00 -0.342 N ATOM 24 H LIG 1 -0.699 0.284 -3.753 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 0.817 -0.201 -2.416 0.00 0.00 +0.129 C BRANCH 25 26 ATOM 26 C LIG 1 0.655 -1.726 -2.340 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 O LIG 1 1.905 -2.369 -2.084 0.00 0.00 -0.376 OA BRANCH 27 28 ATOM 28 C LIG 1 2.218 -2.448 -0.691 0.00 0.00 +0.188 C BRANCH 28 29 ATOM 29 C LIG 1 3.615 -3.050 -0.508 0.00 0.00 +0.188 C BRANCH 29 30 ATOM 30 O LIG 1 4.673 -2.276 -1.078 0.00 0.00 -0.375 OA BRANCH 30 31 ATOM 31 C LIG 1 4.859 -0.962 -0.556 0.00 0.00 +0.188 C BRANCH 31 32 ATOM 32 C LIG 1 5.110 -0.894 0.956 0.00 0.00 +0.188 C BRANCH 32 33 ATOM 33 O LIG 1 6.066 -1.834 1.452 0.00 0.00 -0.373 OA BRANCH 33 34 ATOM 34 C LIG 1 7.378 -1.718 0.901 0.00 0.00 +0.195 C BRANCH 34 35 ATOM 35 C LIG 1 8.075 -0.447 1.320 0.00 0.00 -0.022 A ATOM 36 C LIG 1 8.637 0.409 0.363 0.00 0.00 +0.006 A ATOM 37 C LIG 1 9.287 1.580 0.756 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.386 1.904 2.108 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.837 1.057 3.069 0.00 0.00 +0.000 A ATOM 40 C LIG 1 8.187 -0.114 2.678 0.00 0.00 +0.006 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 13