REMARK Name = BDB059435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.438 -0.767 -0.681 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.426 0.147 -0.331 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -2.085 -0.283 -0.198 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.041 0.707 0.257 0.00 0.00 -0.034 C ATOM 5 N LIG 1 0.442 0.312 -0.013 0.00 0.00 +0.390 N ATOM 6 C LIG 1 0.589 -1.152 0.472 0.00 0.00 -0.029 C ATOM 7 C LIG 1 -0.344 -2.124 -0.285 0.00 0.00 +0.025 C ATOM 8 C LIG 1 2.014 -1.680 0.561 0.00 0.00 -0.053 A ATOM 9 C LIG 1 2.911 -1.722 -0.540 0.00 0.00 -0.042 A ATOM 10 C LIG 1 4.211 -2.245 -0.362 0.00 0.00 +0.053 A ATOM 11 C LIG 1 4.585 -2.696 0.883 0.00 0.00 +0.167 A ATOM 12 O LIG 1 5.795 -3.219 1.212 0.00 0.00 -0.453 OA ATOM 13 C LIG 1 5.594 -3.517 2.610 0.00 0.00 +0.466 C ATOM 14 O LIG 1 4.279 -3.145 3.084 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 3.726 -2.655 1.945 0.00 0.00 +0.166 A ATOM 16 C LIG 1 2.542 -1.242 -1.922 0.00 0.00 +0.033 C ATOM 17 C LIG 1 2.134 0.222 -1.965 0.00 0.00 -0.013 C ATOM 18 C LIG 1 2.446 -2.161 1.819 0.00 0.00 +0.052 A ATOM 19 C LIG 1 0.710 0.508 -1.504 0.00 0.00 -0.073 C ATOM 20 C LIG 1 -1.759 -1.629 -0.419 0.00 0.00 -0.043 A ATOM 21 C LIG 1 -2.761 -2.522 -0.811 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -4.084 -2.095 -0.937 0.00 0.00 +0.050 A ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 -6.769 -1.243 -0.982 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -5.726 -0.309 -0.724 0.00 0.00 -0.491 OA ENDBRANCH 1 24 BRANCH 2 25 ATOM 25 O LIG 1 -3.612 1.476 -0.026 0.00 0.00 -0.491 OA ATOM 26 C LIG 1 -4.657 2.162 -0.713 0.00 0.00 +0.277 C ENDBRANCH 2 25 BRANCH 5 27 ATOM 27 C LIG 1 1.338 1.231 0.876 0.00 0.00 -0.038 C BRANCH 27 28 ATOM 28 C LIG 1 1.138 2.725 0.750 0.00 0.00 -0.063 A ATOM 29 C LIG 1 0.245 3.399 1.601 0.00 0.00 +0.002 A ATOM 30 C LIG 1 0.044 4.775 1.481 0.00 0.00 +0.000 A ATOM 31 C LIG 1 0.741 5.500 0.519 0.00 0.00 +0.000 A ATOM 32 C LIG 1 1.646 4.853 -0.316 0.00 0.00 +0.000 A ATOM 33 C LIG 1 1.848 3.476 -0.199 0.00 0.00 +0.002 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 4