REMARK Name = BDB034135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.525 0.299 0.830 0.00 0.00 +0.176 C ATOM 2 C LIG 1 2.209 0.752 0.192 0.00 0.00 +0.063 C ATOM 3 C LIG 1 1.216 -0.396 0.122 0.00 0.00 +0.111 C ATOM 4 N LIG 1 0.921 -0.931 1.455 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.285 -1.534 1.802 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -0.610 -1.820 2.950 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.889 -0.663 2.516 0.00 0.00 +0.111 C ATOM 8 C LIG 1 3.317 -0.689 1.985 0.00 0.00 +0.063 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.230 -1.868 0.720 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -2.404 -1.119 0.587 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.324 -1.408 -0.436 0.00 0.00 -0.002 A ATOM 12 C LIG 1 -3.048 -2.505 -1.274 0.00 0.00 +0.124 A ATOM 13 C LIG 1 -1.867 -3.245 -1.143 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -0.954 -2.931 -0.140 0.00 0.00 +0.016 A BRANCH 11 15 ATOM 15 C LIG 1 -4.570 -0.553 -0.619 0.00 0.00 +0.023 C ATOM 16 C LIG 1 -5.559 -0.742 0.543 0.00 0.00 +0.008 C ATOM 17 C LIG 1 -6.593 0.378 0.556 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -5.949 1.744 0.885 0.00 0.00 -0.006 C ATOM 19 C LIG 1 -4.511 1.847 0.315 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -4.249 0.934 -0.883 0.00 0.00 +0.008 C BRANCH 18 21 ATOM 21 C LIG 1 -6.876 2.972 0.552 0.00 0.00 -0.035 C ATOM 22 C LIG 1 -8.296 2.750 1.118 0.00 0.00 +0.011 C ATOM 23 C LIG 1 -6.320 4.253 1.216 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -6.993 3.225 -0.962 0.00 0.00 +0.011 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 12 25 ATOM 25 O LIG 1 -3.905 -2.854 -2.285 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.877 -3.808 -1.825 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -4.472 -5.235 -2.222 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -5.671 -5.832 -2.817 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -5.420 -6.591 -3.450 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -6.298 -4.731 -3.546 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -6.189 -3.566 -2.577 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 12 25 ENDBRANCH 5 9 BRANCH 1 32 ATOM 32 O LIG 1 4.179 1.477 1.333 0.00 0.00 -0.488 OA BRANCH 32 34 ATOM 33 C LIG 1 5.778 2.934 0.322 0.00 0.00 +0.101 A ATOM 34 C LIG 1 5.442 1.686 0.848 0.00 0.00 +0.137 A ATOM 35 C LIG 1 6.420 0.681 0.910 0.00 0.00 +0.069 A ATOM 36 C LIG 1 7.718 0.861 0.394 0.00 0.00 +0.033 A ATOM 37 C LIG 1 8.010 2.110 -0.169 0.00 0.00 +0.024 A ATOM 38 C LIG 1 7.056 3.135 -0.207 0.00 0.00 +0.020 A BRANCH 36 39 ATOM 39 N LIG 1 8.639 -0.190 0.467 0.00 0.00 -0.327 N ATOM 40 C LIG 1 8.164 -1.455 -0.149 0.00 0.00 +0.120 C ATOM 41 C LIG 1 9.331 -2.418 -0.467 0.00 0.00 +0.100 C ATOM 42 N LIG 1 10.367 -1.848 -1.347 0.00 0.00 -0.313 NA ATOM 43 H LIG 1 11.235 -2.367 -1.219 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 10.587 -0.415 -1.071 0.00 0.00 +0.100 C ATOM 45 C LIG 1 10.085 0.062 0.309 0.00 0.00 +0.120 C ENDBRANCH 36 39 BRANCH 33 46 ATOM 46 C LIG 1 4.820 4.055 0.235 0.00 0.00 +0.342 C ATOM 47 O LIG 1 4.708 4.760 -0.756 0.00 0.00 -0.245 OA BRANCH 46 49 ATOM 48 C LIG 1 3.241 5.297 1.424 0.00 0.00 +0.280 C ATOM 49 O LIG 1 4.171 4.214 1.413 0.00 0.00 -0.464 OA ENDBRANCH 46 49 ENDBRANCH 33 46 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 10