REMARK Name = BDB026475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.719 -1.983 1.907 0.00 0.00 -0.278 N ATOM 2 C LIG 1 0.311 -0.919 1.121 0.00 0.00 +0.305 C ATOM 3 O LIG 1 0.315 0.259 1.444 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -0.110 -1.431 -0.111 0.00 0.00 -0.281 N ATOM 5 C LIG 1 0.338 -2.806 -0.239 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.700 -3.228 1.178 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.340 -1.839 3.208 0.00 0.00 +0.164 C BRANCH 7 10 ATOM 8 C LIG 1 4.841 -1.506 1.988 0.00 0.00 +0.126 A ATOM 9 N LIG 1 3.494 -1.687 1.981 0.00 0.00 -0.245 NA ATOM 10 C LIG 1 2.852 -1.686 3.178 0.00 0.00 +0.059 A ATOM 11 C LIG 1 3.535 -1.535 4.385 0.00 0.00 +0.025 A ATOM 12 C LIG 1 4.919 -1.385 4.370 0.00 0.00 +0.004 A ATOM 13 C LIG 1 5.588 -1.375 3.153 0.00 0.00 +0.033 A BRANCH 8 15 ATOM 14 O LIG 1 6.698 -1.949 0.626 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 5.556 -1.481 0.670 0.00 0.00 +0.265 C ATOM 16 N LIG 1 4.934 -0.930 -0.457 0.00 0.00 -0.296 N ATOM 17 C LIG 1 5.620 -1.023 -1.742 0.00 0.00 +0.108 C ATOM 18 C LIG 1 4.634 -1.026 -2.902 0.00 0.00 +0.019 C ATOM 19 C LIG 1 3.752 0.223 -2.916 0.00 0.00 +0.003 C ATOM 20 C LIG 1 3.627 0.881 -1.542 0.00 0.00 +0.019 C ATOM 21 C LIG 1 3.704 -0.134 -0.406 0.00 0.00 +0.108 C ENDBRANCH 8 15 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -0.317 -0.621 -1.309 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -1.229 0.619 -1.169 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -0.494 1.698 -0.577 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -0.172 1.375 0.294 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.532 0.319 -0.390 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.680 1.195 -0.731 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.881 0.722 -0.009 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.088 1.623 -0.156 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.940 2.970 -0.525 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.069 3.794 -0.623 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.337 3.290 -0.334 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.486 1.959 0.048 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.579 3.500 -0.889 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.368 1.130 0.141 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.431 2.607 -0.395 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8