REMARK Name = BDB029529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.710 -1.875 0.123 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 -4.746 -1.145 -0.010 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -3.436 -1.537 0.119 0.00 0.00 -0.285 N ATOM 4 H LIG 1 -3.201 -2.501 0.321 0.00 0.00 +0.151 HD ATOM 5 C LIG 1 -2.498 -0.447 -0.095 0.00 0.00 +0.115 C ATOM 6 C LIG 1 -1.673 -0.658 -1.367 0.00 0.00 +0.054 C ATOM 7 C LIG 1 -0.230 -1.014 -1.027 0.00 0.00 +0.109 C ATOM 8 N LIG 1 0.363 0.059 -0.229 0.00 0.00 -0.315 N ATOM 9 C LIG 1 -0.435 0.661 0.842 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -1.665 -0.186 1.159 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -3.514 0.694 -0.303 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -3.249 1.878 -0.450 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -4.771 0.176 -0.291 0.00 0.00 -0.238 N ATOM 14 H LIG 1 -5.615 0.714 -0.387 0.00 0.00 +0.159 HD ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 1.746 0.013 -0.079 0.00 0.00 +0.121 A ATOM 16 N LIG 1 2.413 -1.086 -0.506 0.00 0.00 -0.238 NA ATOM 17 C LIG 1 3.764 -1.130 -0.378 0.00 0.00 +0.145 A ATOM 18 C LIG 1 4.505 -0.098 0.163 0.00 0.00 +0.144 A ATOM 19 C LIG 1 3.838 1.044 0.594 0.00 0.00 +0.037 A ATOM 20 C LIG 1 2.448 1.094 0.465 0.00 0.00 +0.046 A BRANCH 18 21 ATOM 21 N LIG 1 5.950 -0.214 0.269 0.00 0.00 +0.058 N ATOM 22 O LIG 1 6.569 0.738 0.766 0.00 0.00 -0.126 OA ATOM 23 O LIG 1 6.477 -1.257 -0.142 0.00 0.00 -0.126 OA ENDBRANCH 18 21 ENDBRANCH 8 15 TORSDOF 2