REMARK Name = BDB038792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.228 -0.462 -1.587 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.030 0.265 -0.481 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -3.250 0.766 -0.883 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -3.642 0.377 -1.734 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.612 0.361 0.674 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -4.242 1.188 0.110 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -5.170 -0.023 0.330 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -5.317 -0.913 -0.507 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -5.862 -0.056 1.504 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -6.530 -0.804 1.635 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -5.921 0.746 2.121 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -5.034 2.397 -0.405 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 -5.885 3.060 0.653 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -5.286 3.783 1.695 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -6.070 4.369 2.689 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.457 4.241 2.651 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.062 3.531 1.617 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.281 2.944 0.621 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 0.147 -0.588 -1.108 0.00 0.00 -0.302 N ATOM 20 H LIG 1 0.224 -0.948 -0.165 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.081 0.382 -1.419 0.00 0.00 +0.231 C ATOM 22 O LIG 1 0.916 1.210 -2.311 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 2.388 0.301 -0.604 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 N LIG 1 2.099 0.013 0.820 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 1.307 0.575 1.136 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 1.883 -0.968 0.967 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 3.299 -0.758 -1.250 0.00 0.00 +0.063 C BRANCH 27 28 ATOM 28 C LIG 1 4.738 -0.670 -0.802 0.00 0.00 -0.045 A ATOM 29 C LIG 1 5.217 -1.477 0.234 0.00 0.00 +0.005 A ATOM 30 C LIG 1 6.551 -1.391 0.652 0.00 0.00 +0.023 A ATOM 31 C LIG 1 7.427 -0.493 0.042 0.00 0.00 +0.033 A ATOM 32 C LIG 1 6.947 0.320 -0.991 0.00 0.00 +0.023 A ATOM 33 C LIG 1 5.615 0.234 -1.410 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 N LIG 1 8.782 -0.344 0.403 0.00 0.00 -0.286 N ATOM 35 H LIG 1 9.302 0.349 -0.119 0.00 0.00 +0.155 HD ATOM 36 C LIG 1 9.480 -1.044 1.370 0.00 0.00 +0.214 C ATOM 37 O LIG 1 9.057 -1.944 2.086 0.00 0.00 -0.276 OA ATOM 38 C LIG 1 10.916 -0.592 1.463 0.00 0.00 +0.109 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 39 ATOM 39 C LIG 1 -1.853 -1.833 -1.945 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -1.147 -2.421 -3.174 0.00 0.00 +0.010 C BRANCH 39 42 ATOM 41 C LIG 1 -2.628 -4.099 -1.028 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -1.843 -2.822 -0.758 0.00 0.00 +0.002 C ENDBRANCH 39 42 ENDBRANCH 1 39 TORSDOF 13