REMARK Name = BDB045924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.314 0.192 1.702 0.00 0.00 -0.282 N ATOM 2 H LIG 1 -1.260 -0.153 1.777 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.117 1.552 1.869 0.00 0.00 +0.248 C ATOM 4 O LIG 1 0.963 2.129 1.874 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 2.496 -2.881 0.975 0.00 0.00 +0.037 A ATOM 6 C LIG 1 2.950 -1.572 1.163 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.038 -0.536 1.401 0.00 0.00 +0.024 A ATOM 8 C LIG 1 0.667 -0.793 1.467 0.00 0.00 +0.034 A ATOM 9 C LIG 1 0.219 -2.109 1.293 0.00 0.00 +0.024 A ATOM 10 C LIG 1 1.125 -3.146 1.050 0.00 0.00 +0.015 A BRANCH 5 12 ATOM 11 O LIG 1 3.078 -5.167 0.986 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.425 -4.020 0.730 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.647 -3.708 0.176 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.775 -2.809 -0.265 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 5.560 -4.761 -0.204 0.00 0.00 +0.139 C BRANCH 15 16 ATOM 16 C LIG 1 6.866 -4.186 -0.682 0.00 0.00 -0.030 A ATOM 17 C LIG 1 7.178 -4.156 -2.047 0.00 0.00 +0.005 A ATOM 18 C LIG 1 8.378 -3.593 -2.488 0.00 0.00 +0.000 A ATOM 19 C LIG 1 9.274 -3.052 -1.568 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.976 -3.077 -0.207 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.777 -3.641 0.235 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 5 12 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -1.354 2.372 2.063 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -2.602 1.993 1.546 0.00 0.00 +0.018 A ATOM 24 C LIG 1 -3.727 2.819 1.701 0.00 0.00 -0.029 A ATOM 25 C LIG 1 -3.590 4.023 2.408 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -2.353 4.407 2.926 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -1.238 3.589 2.748 0.00 0.00 +0.013 A BRANCH 24 28 ATOM 28 C LIG 1 -5.063 2.416 1.125 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 N LIG 1 -5.513 3.332 0.094 0.00 0.00 -0.257 N ATOM 30 C LIG 1 -5.476 3.049 -1.319 0.00 0.00 +0.121 C ATOM 31 C LIG 1 -6.090 4.328 -1.870 0.00 0.00 +0.256 C ATOM 32 O LIG 1 -6.955 4.790 -0.830 0.00 0.00 -0.448 OA ATOM 33 C LIG 1 -6.506 4.258 0.347 0.00 0.00 +0.404 C ATOM 34 O LIG 1 -6.962 4.558 1.438 0.00 0.00 -0.226 OA BRANCH 30 35 ATOM 35 C LIG 1 -4.103 2.789 -1.960 0.00 0.00 +0.061 C BRANCH 35 36 ATOM 36 C LIG 1 -3.502 1.405 -1.840 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -2.101 1.280 -1.820 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -1.489 0.028 -1.755 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -2.269 -1.123 -1.726 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.656 -1.021 -1.774 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.270 0.233 -1.843 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 3 22 TORSDOF 9