REMARK Name = BDB056302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.336 0.808 1.919 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.762 0.508 0.675 0.00 0.00 +0.022 A ATOM 3 C LIG 1 0.425 -0.245 0.590 0.00 0.00 -0.005 A ATOM 4 C LIG 1 1.013 -0.663 1.804 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.432 -0.367 3.047 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -0.739 0.384 3.105 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -2.478 2.699 2.604 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.556 1.638 1.990 0.00 0.00 +0.247 C ATOM 9 N LIG 1 -3.716 1.187 1.348 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -3.999 -0.239 1.200 0.00 0.00 +0.109 C ATOM 11 C LIG 1 -5.026 -0.520 0.109 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -6.315 0.297 0.325 0.00 0.00 +0.060 C ATOM 13 C LIG 1 -5.929 1.786 0.393 0.00 0.00 +0.038 C ATOM 14 C LIG 1 -4.886 2.046 1.474 0.00 0.00 +0.109 C BRANCH 12 15 ATOM 15 N LIG 1 -7.298 0.043 -0.750 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 -7.721 -1.359 -0.841 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -8.966 -1.307 -1.712 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -9.514 0.101 -1.541 0.00 0.00 +0.017 C ATOM 19 C LIG 1 -8.552 0.790 -0.587 0.00 0.00 +0.085 C ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 C LIG 1 2.267 -1.442 1.834 0.00 0.00 +0.247 C ATOM 21 N LIG 1 3.472 -0.778 1.631 0.00 0.00 -0.297 N ATOM 22 C LIG 1 3.640 0.669 1.616 0.00 0.00 +0.109 C ATOM 23 C LIG 1 4.566 1.127 0.491 0.00 0.00 +0.038 C ATOM 24 C LIG 1 5.686 0.117 0.146 0.00 0.00 +0.060 C ATOM 25 C LIG 1 5.953 -0.785 1.362 0.00 0.00 +0.038 C ATOM 26 C LIG 1 4.691 -1.571 1.722 0.00 0.00 +0.109 C ATOM 27 O LIG 1 2.176 -2.647 2.055 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 N LIG 1 6.891 0.835 -0.326 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 6.657 1.583 -1.570 0.00 0.00 +0.085 C ATOM 30 C LIG 1 8.060 1.939 -2.029 0.00 0.00 +0.017 C ATOM 31 C LIG 1 8.949 0.829 -1.481 0.00 0.00 +0.017 C ATOM 32 C LIG 1 8.026 -0.042 -0.639 0.00 0.00 +0.085 C ENDBRANCH 24 28 ENDBRANCH 4 20 BRANCH 3 33 ATOM 33 C LIG 1 0.996 -0.554 -0.734 0.00 0.00 -0.017 A ATOM 34 C LIG 1 1.230 -1.879 -1.136 0.00 0.00 +0.008 A ATOM 35 C LIG 1 1.775 -2.166 -2.391 0.00 0.00 +0.001 A ATOM 36 C LIG 1 2.084 -1.131 -3.270 0.00 0.00 +0.000 A ATOM 37 C LIG 1 1.849 0.190 -2.896 0.00 0.00 +0.001 A ATOM 38 C LIG 1 1.308 0.475 -1.640 0.00 0.00 +0.008 A ENDBRANCH 3 33 TORSDOF 5