REMARK Name = BDB043578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.761 0.286 1.905 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -1.448 1.378 1.065 0.00 0.00 +0.234 C ATOM 3 O LIG 1 -1.055 2.548 1.075 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -2.532 1.076 0.290 0.00 0.00 -0.308 N ATOM 5 H LIG 1 -2.856 1.889 -0.220 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -3.377 -0.125 0.261 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -3.059 -1.086 -0.925 0.00 0.00 +0.163 C ATOM 8 C LIG 1 -1.844 -2.029 -0.741 0.00 0.00 +0.145 C ATOM 9 C LIG 1 -1.954 -2.960 0.472 0.00 0.00 +0.035 C ATOM 10 C LIG 1 -0.614 -3.611 0.844 0.00 0.00 +0.021 C ATOM 11 C LIG 1 -0.511 -3.933 2.342 0.00 0.00 +0.104 C ATOM 12 N LIG 1 0.355 -3.004 3.061 0.00 0.00 -0.315 N ATOM 13 H LIG 1 1.343 -3.233 3.075 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 0.091 -1.876 3.775 0.00 0.00 +0.213 C ATOM 15 O LIG 1 1.016 -1.312 4.361 0.00 0.00 -0.276 OA ATOM 16 C LIG 1 -1.314 -1.317 3.832 0.00 0.00 +0.098 C ATOM 17 C LIG 1 -1.403 0.120 3.289 0.00 0.00 +0.041 C ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 1.577 0.204 1.096 0.00 0.00 +0.234 C ATOM 19 N LIG 1 0.652 0.633 2.023 0.00 0.00 -0.302 N ATOM 20 H LIG 1 0.887 1.429 2.604 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 1.272 -0.534 0.159 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 3.017 0.698 1.329 0.00 0.00 +0.166 C BRANCH 22 24 ATOM 23 C LIG 1 5.245 -0.264 0.837 0.00 0.00 +0.401 C ATOM 24 N LIG 1 3.915 -0.176 0.590 0.00 0.00 -0.269 N ATOM 25 H LIG 1 3.555 -0.654 -0.229 0.00 0.00 +0.153 HD ATOM 26 O LIG 1 5.827 0.334 1.728 0.00 0.00 -0.226 OA BRANCH 23 27 ATOM 27 O LIG 1 5.804 -1.094 -0.073 0.00 0.00 -0.445 OA BRANCH 27 29 ATOM 28 C LIG 1 7.676 -2.019 1.237 0.00 0.00 +0.055 C ATOM 29 C LIG 1 7.232 -1.346 -0.067 0.00 0.00 +0.107 C ATOM 30 C LIG 1 7.460 -2.327 -1.228 0.00 0.00 +0.055 C ATOM 31 C LIG 1 8.020 -0.062 -0.349 0.00 0.00 +0.055 C ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 22 24 BRANCH 22 32 ATOM 32 C LIG 1 3.188 2.190 0.987 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 3.043 2.535 -0.481 0.00 0.00 -0.045 A ATOM 34 C LIG 1 1.809 2.946 -1.001 0.00 0.00 +0.004 A ATOM 35 C LIG 1 1.677 3.251 -2.357 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.777 3.152 -3.208 0.00 0.00 +0.000 A ATOM 37 C LIG 1 4.011 2.751 -2.701 0.00 0.00 +0.000 A ATOM 38 C LIG 1 4.145 2.448 -1.345 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 7 39 ATOM 39 O LIG 1 -2.822 -0.320 -2.122 0.00 0.00 -0.387 OA ATOM 40 H LIG 1 -2.103 0.307 -1.911 0.00 0.00 +0.210 HD ENDBRANCH 7 39 BRANCH 8 41 ATOM 41 O LIG 1 -1.732 -2.855 -1.909 0.00 0.00 -0.389 OA ATOM 42 H LIG 1 -1.838 -2.250 -2.671 0.00 0.00 +0.210 HD ENDBRANCH 8 41 BRANCH 6 43 ATOM 43 C LIG 1 -4.879 0.265 0.319 0.00 0.00 +0.028 C BRANCH 43 44 ATOM 44 C LIG 1 -5.567 0.786 -0.964 0.00 0.00 -0.009 C ATOM 45 C LIG 1 -7.091 0.821 -0.766 0.00 0.00 +0.003 C ATOM 46 C LIG 1 -7.831 1.166 -2.062 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -7.020 2.045 -3.012 0.00 0.00 +0.000 C ATOM 48 C LIG 1 -6.074 2.962 -2.253 0.00 0.00 +0.000 C ATOM 49 C LIG 1 -5.071 2.178 -1.400 0.00 0.00 +0.003 C ENDBRANCH 43 44 ENDBRANCH 6 43 TORSDOF 11