REMARK Name = BDB014657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.406 -1.861 0.029 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.760 -1.620 -0.676 0.00 0.00 -0.310 N ATOM 3 H LIG 1 0.688 -1.262 -1.622 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.453 -2.619 0.994 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -1.606 -1.069 -0.503 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 -2.851 -1.379 0.113 0.00 0.00 -0.482 OA BRANCH 6 8 ATOM 7 C LIG 1 -4.490 0.235 0.768 0.00 0.00 -0.001 A ATOM 8 C LIG 1 -3.265 -0.419 1.001 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -2.518 -0.162 2.154 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.955 0.789 3.072 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -4.145 1.473 2.844 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.907 1.196 1.705 0.00 0.00 +0.007 A BRANCH 7 15 ATOM 13 C LIG 1 -4.861 2.242 -1.565 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -4.836 0.716 -1.734 0.00 0.00 +0.058 C ATOM 15 C LIG 1 -5.308 -0.080 -0.481 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -6.834 0.033 -0.299 0.00 0.00 +0.011 C ATOM 17 C LIG 1 -7.549 -0.377 -1.584 0.00 0.00 +0.016 C ATOM 18 C LIG 1 -7.041 0.424 -2.780 0.00 0.00 +0.081 C ATOM 19 N LIG 1 -5.592 0.313 -2.938 0.00 0.00 -0.313 NA ATOM 20 H LIG 1 -5.294 0.872 -3.736 0.00 0.00 +0.122 HD ENDBRANCH 7 15 ENDBRANCH 6 8 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 21 ATOM 21 C LIG 1 1.965 -2.389 -0.407 0.00 0.00 +0.136 C BRANCH 21 22 ATOM 22 C LIG 1 3.200 -1.780 -1.088 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.883 -1.536 -2.472 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 3.714 -1.281 -2.910 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.667 -0.460 -0.430 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 4.103 -0.590 0.970 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 5.416 -1.244 1.116 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.603 -0.374 0.758 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.507 1.029 0.807 0.00 0.00 -0.042 A ATOM 30 C LIG 1 7.631 1.813 0.512 0.00 0.00 +0.004 A ATOM 31 C LIG 1 8.845 1.211 0.189 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.948 -0.178 0.158 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.186 1.691 1.109 0.00 0.00 +0.051 C ATOM 34 C LIG 1 7.834 -0.967 0.446 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.140 0.711 1.662 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9