REMARK Name = BDB050772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.500 1.099 -0.546 0.00 0.00 +0.031 A ATOM 2 C LIG 1 0.646 1.892 -0.664 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.921 1.343 -0.481 0.00 0.00 +0.013 A ATOM 4 C LIG 1 2.088 -0.019 -0.197 0.00 0.00 +0.017 A ATOM 5 C LIG 1 0.942 -0.820 -0.119 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.333 -0.268 -0.302 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.443 -0.551 -0.009 0.00 0.00 +0.139 A ATOM 8 N LIG 1 3.726 -1.812 0.467 0.00 0.00 -0.338 N ATOM 9 H LIG 1 3.045 -2.502 0.744 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 5.087 -1.976 0.524 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.602 -0.767 0.069 0.00 0.00 +0.102 A ATOM 12 C LIG 1 6.999 -0.602 0.003 0.00 0.00 +0.064 A ATOM 13 C LIG 1 7.819 -1.673 0.404 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.267 -2.873 0.858 0.00 0.00 +0.003 A ATOM 15 C LIG 1 5.881 -3.051 0.928 0.00 0.00 +0.028 A ATOM 16 N LIG 1 4.570 0.098 -0.250 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 7.625 0.654 -0.473 0.00 0.00 +0.244 C ATOM 18 O LIG 1 8.842 0.787 -0.520 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 6.793 1.663 -0.861 0.00 0.00 -0.325 N ATOM 20 H LIG 1 7.191 2.526 -1.201 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 5.782 1.549 -0.833 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 -1.767 1.683 -0.799 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -1.772 2.656 -0.502 0.00 0.00 +0.152 HD BRANCH 22 28 ATOM 24 C LIG 1 -6.782 0.008 2.516 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -5.462 0.687 2.259 0.00 0.00 -0.024 A ATOM 26 C LIG 1 -4.847 0.563 1.005 0.00 0.00 +0.076 A ATOM 27 C LIG 1 -3.614 1.209 0.783 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -3.026 1.069 -0.503 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -3.660 0.282 -1.496 0.00 0.00 +0.022 A ATOM 30 C LIG 1 -4.881 -0.317 -1.153 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -5.536 -1.094 -2.101 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -5.017 -1.294 -3.382 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.812 -0.703 -3.733 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.139 0.080 -2.798 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -3.025 1.947 1.839 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -3.646 2.058 3.079 0.00 0.00 +0.001 A ATOM 37 N LIG 1 -5.447 -0.173 0.053 0.00 0.00 -0.246 NA ATOM 38 C LIG 1 -4.865 1.431 3.288 0.00 0.00 +0.005 A ENDBRANCH 22 28 ENDBRANCH 1 22 TORSDOF 4