REMARK Name = BDB019844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.095 -0.494 -0.640 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.864 -1.599 -1.026 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.173 -1.766 -0.551 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.704 -0.790 0.308 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.956 0.335 0.693 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.647 0.475 0.208 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.983 -2.923 -0.961 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.735 -4.232 -0.482 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.618 -4.526 0.484 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -3.536 -5.295 -0.933 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.576 -5.061 -1.825 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -5.332 -6.087 -2.239 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.843 -3.784 -2.291 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.049 -2.720 -1.861 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.180 0.333 -0.417 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.960 0.651 0.519 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.288 -0.376 -1.179 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.589 -0.915 -2.238 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.568 0.523 -0.800 0.00 0.00 +0.125 C BRANCH 19 22 ATOM 20 C LIG 1 6.535 0.456 1.577 0.00 0.00 +0.123 A ATOM 21 C LIG 1 5.772 0.303 0.424 0.00 0.00 +0.070 A ATOM 22 C LIG 1 4.428 0.679 0.453 0.00 0.00 +0.065 A ATOM 23 N LIG 1 3.830 1.184 1.571 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 4.599 1.320 2.671 0.00 0.00 +0.114 A ATOM 25 C LIG 1 5.937 0.975 2.720 0.00 0.00 +0.065 A BRANCH 20 27 ATOM 26 C LIG 1 8.516 -0.402 0.575 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.859 0.142 1.714 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 22 BRANCH 19 28 ATOM 28 C LIG 1 3.638 1.695 -1.754 0.00 0.00 +0.015 C ATOM 29 C LIG 1 3.290 3.101 -1.317 0.00 0.00 +0.006 C ATOM 30 C LIG 1 4.696 2.779 -1.742 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -2.560 1.387 1.598 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -3.614 2.118 0.929 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -4.989 1.895 1.079 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -5.614 1.063 1.833 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -4.950 0.523 2.385 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -5.581 2.797 0.191 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -6.998 2.826 -0.074 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -4.604 3.495 -0.500 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -3.410 3.091 -0.048 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8