REMARK Name = BDB043132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.923 3.054 -0.427 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.770 3.986 0.366 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -2.263 3.457 1.091 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -2.666 4.822 -0.331 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -4.005 4.987 0.091 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -4.885 5.836 -0.601 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -4.429 6.568 -1.693 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.102 6.454 -2.095 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.231 5.595 -1.416 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -4.531 4.194 1.231 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -4.287 2.987 1.272 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.325 4.829 2.316 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.224 4.035 3.039 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.978 4.594 4.073 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.829 5.942 4.395 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.921 6.733 3.690 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.164 6.179 2.655 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.790 2.009 -1.179 0.00 0.00 +0.126 C BRANCH 18 19 ATOM 19 N LIG 1 -2.730 1.307 -0.318 0.00 0.00 -0.312 N ATOM 20 H LIG 1 -3.302 1.879 0.309 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 -3.287 0.108 -0.704 0.00 0.00 +0.230 C ATOM 22 O LIG 1 -2.955 -0.497 -1.722 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 -4.408 -0.379 0.220 0.00 0.00 +0.200 C BRANCH 23 24 ATOM 24 N LIG 1 -4.650 -1.794 -0.012 0.00 0.00 -0.303 N ATOM 25 H LIG 1 -4.797 -2.043 -0.983 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.034 -2.740 0.781 0.00 0.00 +0.244 C ATOM 27 O LIG 1 -3.414 -2.469 1.803 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.124 -4.152 0.312 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.186 -4.603 -0.484 0.00 0.00 +0.016 A ATOM 30 C LIG 1 -5.234 -5.939 -0.890 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -4.232 -6.819 -0.493 0.00 0.00 +0.117 A ATOM 32 C LIG 1 -3.175 -6.388 0.302 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -3.124 -5.052 0.708 0.00 0.00 +0.016 A BRANCH 31 34 ATOM 34 O LIG 1 -4.325 -8.115 -0.905 0.00 0.00 -0.507 OA ATOM 35 H LIG 1 -3.597 -8.619 -0.504 0.00 0.00 +0.292 HD ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 36 ATOM 36 C LIG 1 0.070 2.384 0.552 0.00 0.00 +0.059 C BRANCH 36 40 ATOM 37 C LIG 1 3.253 0.184 -1.379 0.00 0.00 +0.121 A ATOM 38 C LIG 1 2.166 -0.487 -0.816 0.00 0.00 +0.046 A ATOM 39 C LIG 1 1.136 0.219 -0.192 0.00 0.00 +0.007 A ATOM 40 C LIG 1 1.178 1.615 -0.124 0.00 0.00 -0.045 A ATOM 41 C LIG 1 2.265 2.288 -0.698 0.00 0.00 +0.007 A ATOM 42 C LIG 1 3.296 1.577 -1.323 0.00 0.00 +0.046 A BRANCH 37 43 ATOM 43 O LIG 1 4.192 -0.628 -1.949 0.00 0.00 -0.492 OA BRANCH 43 44 ATOM 44 C LIG 1 5.386 -0.012 -2.433 0.00 0.00 +0.235 C BRANCH 44 45 ATOM 45 C LIG 1 6.352 -1.093 -2.919 0.00 0.00 +0.100 C BRANCH 45 48 ATOM 46 C LIG 1 8.569 -0.223 -0.520 0.00 0.00 +0.088 C ATOM 47 C LIG 1 7.879 -1.481 -0.851 0.00 0.00 +0.126 A ATOM 48 C LIG 1 6.969 -1.875 -1.810 0.00 0.00 +0.086 A ATOM 49 N LIG 1 6.678 -3.210 -1.639 0.00 0.00 -0.214 NA ATOM 50 C LIG 1 7.382 -3.568 -0.582 0.00 0.00 +0.228 A ATOM 51 O LIG 1 8.145 -2.558 -0.055 0.00 0.00 -0.440 OA BRANCH 50 52 ATOM 52 C LIG 1 7.454 -4.867 0.083 0.00 0.00 +0.037 A ATOM 53 C LIG 1 6.668 -5.930 -0.388 0.00 0.00 +0.013 A ATOM 54 C LIG 1 6.712 -7.183 0.229 0.00 0.00 +0.001 A ATOM 55 C LIG 1 7.545 -7.390 1.327 0.00 0.00 +0.000 A ATOM 56 C LIG 1 8.332 -6.345 1.808 0.00 0.00 +0.001 A ATOM 57 C LIG 1 8.287 -5.092 1.190 0.00 0.00 +0.013 A ENDBRANCH 50 52 ENDBRANCH 45 48 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 37 43 ENDBRANCH 36 40 ENDBRANCH 1 36 TORSDOF 17