REMARK Name = BDB043363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.968 0.413 -1.562 0.00 0.00 +0.205 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.519 0.030 -1.547 0.00 0.00 +0.242 C ATOM 3 N LIG 1 0.988 -0.308 -0.297 0.00 0.00 -0.308 N ATOM 4 H LIG 1 0.251 -0.490 0.387 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 1.232 0.059 -2.548 0.00 0.00 -0.273 OA BRANCH 3 6 ATOM 6 C LIG 1 2.367 -0.697 -0.022 0.00 0.00 +0.104 C BRANCH 6 7 ATOM 7 C LIG 1 2.620 -2.231 -0.177 0.00 0.00 +0.163 C BRANCH 7 8 ATOM 8 O LIG 1 1.573 -3.010 0.431 0.00 0.00 -0.387 OA ATOM 9 H LIG 1 1.027 -2.422 0.988 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 2.874 -2.762 -1.615 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 O LIG 1 1.726 -2.622 -2.460 0.00 0.00 -0.389 OA ATOM 12 H LIG 1 1.668 -1.679 -2.720 0.00 0.00 +0.210 HD ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 C LIG 1 4.082 -2.145 -2.345 0.00 0.00 +0.037 C BRANCH 13 14 ATOM 14 C LIG 1 5.432 -2.213 -1.610 0.00 0.00 -0.015 C ATOM 15 C LIG 1 5.851 -3.649 -1.300 0.00 0.00 +0.007 C ATOM 16 C LIG 1 6.514 -1.530 -2.453 0.00 0.00 +0.007 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 17 ATOM 17 C LIG 1 2.730 -0.250 1.415 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 2.596 1.268 1.682 0.00 0.00 -0.009 C ATOM 19 C LIG 1 2.693 1.526 3.201 0.00 0.00 +0.003 C ATOM 20 C LIG 1 3.024 2.981 3.506 0.00 0.00 +0.000 C ATOM 21 C LIG 1 4.386 3.381 2.934 0.00 0.00 +0.000 C ATOM 22 C LIG 1 4.806 2.542 1.728 0.00 0.00 +0.000 C ATOM 23 C LIG 1 3.608 2.118 0.886 0.00 0.00 +0.003 C ENDBRANCH 17 18 ENDBRANCH 6 17 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 O LIG 1 -1.589 -0.477 -0.620 0.00 0.00 -0.355 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.021 -0.442 -0.575 0.00 0.00 +0.209 C BRANCH 25 26 ATOM 26 C LIG 1 -3.520 0.374 0.646 0.00 0.00 +0.245 C ATOM 27 N LIG 1 -4.881 0.647 0.769 0.00 0.00 -0.299 N ATOM 28 C LIG 1 -5.891 0.417 -0.266 0.00 0.00 +0.108 C ATOM 29 C LIG 1 -6.981 1.484 -0.239 0.00 0.00 +0.019 C ATOM 30 C LIG 1 -7.688 1.548 1.113 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -6.803 1.087 2.269 0.00 0.00 +0.019 C ATOM 32 C LIG 1 -5.325 1.332 1.985 0.00 0.00 +0.108 C ATOM 33 O LIG 1 -2.716 0.796 1.485 0.00 0.00 -0.273 OA ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -3.519 -1.900 -0.552 0.00 0.00 +0.076 C BRANCH 34 35 ATOM 35 C LIG 1 -3.085 -2.708 0.651 0.00 0.00 -0.044 A ATOM 36 C LIG 1 -1.867 -3.406 0.629 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -1.456 -4.149 1.736 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.255 -4.200 2.878 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.467 -3.510 2.912 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.881 -2.768 1.804 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 1 24 BRANCH 1 41 ATOM 41 C LIG 1 -1.142 1.883 -1.159 0.00 0.00 +0.041 C BRANCH 41 42 ATOM 42 C LIG 1 -0.432 2.898 -2.062 0.00 0.00 +0.003 C BRANCH 42 44 ATOM 43 C LIG 1 -0.234 3.944 -4.342 0.00 0.00 +0.004 C ATOM 44 C LIG 1 -0.911 2.862 -3.514 0.00 0.00 -0.003 C ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 1 41 TORSDOF 18