REMARK Name = BDB011828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.580 -0.251 1.314 0.00 0.00 +0.251 C ATOM 2 N LIG 1 1.422 -0.759 0.704 0.00 0.00 -0.263 N ATOM 3 C LIG 1 0.559 -1.665 1.413 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -0.857 -1.705 1.255 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -1.524 -2.808 1.833 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.867 -3.784 2.587 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.494 -3.694 2.791 0.00 0.00 +0.002 A ATOM 8 N LIG 1 -1.646 -0.638 0.628 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -1.093 0.647 0.528 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -1.600 1.630 1.082 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 0.006 0.846 -0.517 0.00 0.00 +0.177 C ATOM 12 C LIG 1 1.198 -2.650 2.203 0.00 0.00 +0.025 A ATOM 13 C LIG 1 0.950 -0.334 -0.613 0.00 0.00 +0.145 C ATOM 14 O LIG 1 2.814 -0.288 2.522 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 5.682 1.587 -0.995 0.00 0.00 +0.017 A ATOM 16 C LIG 1 5.247 0.291 -1.310 0.00 0.00 +0.012 A ATOM 17 C LIG 1 4.230 -0.315 -0.568 0.00 0.00 +0.014 A ATOM 18 C LIG 1 3.625 0.385 0.480 0.00 0.00 +0.037 A ATOM 19 C LIG 1 4.080 1.662 0.826 0.00 0.00 +0.014 A ATOM 20 C LIG 1 5.101 2.266 0.085 0.00 0.00 +0.012 A BRANCH 15 22 ATOM 21 C LIG 1 7.160 3.626 -1.578 0.00 0.00 +0.091 C ATOM 22 C LIG 1 6.771 2.191 -1.820 0.00 0.00 +0.160 C ATOM 23 O LIG 1 7.335 1.515 -2.678 0.00 0.00 -0.292 OA ENDBRANCH 15 22 ENDBRANCH 1 18 BRANCH 11 24 ATOM 24 N LIG 1 0.680 2.116 -0.244 0.00 0.00 -0.301 N ATOM 25 H LIG 1 0.260 2.720 0.467 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 1.338 2.801 -1.244 0.00 0.00 +0.230 C ATOM 27 O LIG 1 1.613 2.294 -2.327 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 1.729 4.238 -0.837 0.00 0.00 +0.135 C ATOM 29 C LIG 1 2.042 5.098 -2.054 0.00 0.00 +0.033 C BRANCH 28 30 ATOM 30 N LIG 1 0.643 4.838 -0.032 0.00 0.00 -0.320 NA ATOM 31 H LIG 1 0.913 5.784 0.237 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 -0.184 4.951 -0.623 0.00 0.00 +0.119 HD ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 11 24 BRANCH 8 33 ATOM 33 C LIG 1 -3.111 -0.607 0.831 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -3.946 -1.626 0.049 0.00 0.00 -0.019 A ATOM 35 C LIG 1 -5.008 -2.348 0.707 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -5.734 -3.322 -0.027 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -6.755 -4.071 0.581 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -7.098 -3.872 1.914 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.423 -2.915 2.654 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -5.443 -3.544 -1.374 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -4.469 -2.798 -2.024 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -5.400 -2.167 2.060 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -3.736 -1.819 -1.342 0.00 0.00 -0.045 A ATOM 44 C LIG 1 -2.744 -1.025 -2.147 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 7