REMARK Name = BDB043353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.724 -1.526 0.085 0.00 0.00 -0.308 N ATOM 2 H LIG 1 0.396 -1.682 -0.864 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.061 -2.182 1.095 0.00 0.00 +0.242 C ATOM 4 O LIG 1 0.440 -2.194 2.264 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.189 -2.949 0.616 0.00 0.00 +0.202 C ATOM 6 C LIG 1 -0.835 -4.432 0.550 0.00 0.00 +0.048 C BRANCH 5 7 ATOM 7 O LIG 1 -1.633 -2.575 -0.691 0.00 0.00 -0.355 OA BRANCH 7 8 ATOM 8 C LIG 1 -2.395 -1.357 -0.727 0.00 0.00 +0.209 C BRANCH 8 9 ATOM 9 C LIG 1 -3.716 -1.444 0.075 0.00 0.00 +0.245 C ATOM 10 N LIG 1 -3.986 -0.436 0.976 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -5.197 -0.462 1.778 0.00 0.00 +0.108 C ATOM 12 C LIG 1 -4.990 0.630 2.816 0.00 0.00 +0.020 C ATOM 13 C LIG 1 -4.125 1.641 2.074 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -3.201 0.760 1.246 0.00 0.00 +0.108 C ATOM 15 O LIG 1 -4.486 -2.398 -0.069 0.00 0.00 -0.273 OA ENDBRANCH 8 9 BRANCH 8 16 ATOM 16 C LIG 1 -2.727 -1.107 -2.209 0.00 0.00 +0.076 C BRANCH 16 17 ATOM 17 C LIG 1 -3.253 0.278 -2.499 0.00 0.00 -0.044 A ATOM 18 C LIG 1 -2.373 1.322 -2.809 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -2.863 2.604 -3.062 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.231 2.857 -3.004 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.112 1.826 -2.698 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.628 0.542 -2.444 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 7 8 ENDBRANCH 5 7 ENDBRANCH 3 5 BRANCH 1 23 ATOM 23 C LIG 1 2.014 -0.862 0.270 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 C LIG 1 2.091 0.396 -0.641 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 O LIG 1 1.779 0.040 -1.996 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 2.480 -0.564 -2.306 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 1.143 1.529 -0.157 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 1.489 1.889 1.181 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 2.289 2.445 1.155 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 1.221 2.767 -1.070 0.00 0.00 +0.037 C BRANCH 30 32 ATOM 31 C LIG 1 0.263 4.940 -1.872 0.00 0.00 +0.007 C ATOM 32 C LIG 1 0.148 3.848 -0.805 0.00 0.00 -0.015 C ATOM 33 C LIG 1 0.236 4.482 0.579 0.00 0.00 +0.007 C ENDBRANCH 30 32 ENDBRANCH 27 30 ENDBRANCH 24 27 ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 3.119 -1.907 -0.013 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 C LIG 1 4.581 -1.413 0.071 0.00 0.00 -0.009 C ATOM 36 C LIG 1 4.934 -0.738 1.407 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.996 -1.728 2.568 0.00 0.00 +0.000 C ATOM 38 C LIG 1 5.970 -2.867 2.278 0.00 0.00 +0.000 C ATOM 39 C LIG 1 5.664 -3.562 0.956 0.00 0.00 +0.000 C ATOM 40 C LIG 1 5.561 -2.570 -0.203 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 1 23 TORSDOF 15