REMARK Name = BDB051904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.008 0.916 0.858 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.212 0.228 0.664 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.455 0.783 1.034 0.00 0.00 -0.015 A ATOM 4 C LIG 1 2.461 2.059 1.616 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.263 2.745 1.825 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.041 2.188 1.435 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.714 0.046 0.809 0.00 0.00 -0.017 A ATOM 8 C LIG 1 4.810 0.671 0.180 0.00 0.00 +0.020 A ATOM 9 C LIG 1 6.005 -0.044 -0.028 0.00 0.00 +0.020 A ATOM 10 C LIG 1 7.264 0.232 -0.604 0.00 0.00 +0.143 A ATOM 11 N LIG 1 8.092 -0.815 -0.562 0.00 0.00 -0.179 NA ATOM 12 N LIG 1 7.359 -1.770 0.047 0.00 0.00 -0.267 N ATOM 13 C LIG 1 7.935 -3.075 0.267 0.00 0.00 +0.173 C ATOM 14 C LIG 1 6.091 -1.367 0.390 0.00 0.00 +0.069 A ATOM 15 C LIG 1 5.027 -2.025 1.016 0.00 0.00 +0.028 A ATOM 16 C LIG 1 3.847 -1.294 1.214 0.00 0.00 +0.010 A ENDBRANCH 3 7 BRANCH 1 18 ATOM 17 C LIG 1 -1.552 -0.860 0.032 0.00 0.00 +0.250 C ATOM 18 N LIG 1 -1.252 0.415 0.475 0.00 0.00 -0.281 N ATOM 19 H LIG 1 -2.046 1.029 0.610 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -0.787 -1.816 0.026 0.00 0.00 -0.270 OA BRANCH 17 24 ATOM 21 C LIG 1 -4.783 1.881 -2.087 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -3.692 1.214 -1.523 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -3.841 -0.102 -1.010 0.00 0.00 +0.016 A ATOM 24 C LIG 1 -2.952 -1.019 -0.370 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -3.661 -2.191 -0.193 0.00 0.00 +0.108 A ATOM 26 N LIG 1 -4.965 -2.038 -0.628 0.00 0.00 -0.287 N ATOM 27 C LIG 1 -5.984 -3.018 -0.581 0.00 0.00 +0.229 C ATOM 28 O LIG 1 -7.116 -2.763 -0.975 0.00 0.00 -0.273 OA ATOM 29 C LIG 1 -5.578 -4.349 -0.021 0.00 0.00 +0.113 C ATOM 30 C LIG 1 -5.087 -0.734 -1.126 0.00 0.00 +0.057 A ATOM 31 C LIG 1 -6.189 -0.062 -1.686 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -6.017 1.245 -2.150 0.00 0.00 +0.048 A BRANCH 21 34 ATOM 33 C LIG 1 -3.505 3.798 -2.693 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -4.766 3.148 -2.603 0.00 0.00 -0.495 OA ENDBRANCH 21 34 ENDBRANCH 17 24 ENDBRANCH 1 18 BRANCH 5 35 ATOM 35 C LIG 1 1.317 4.090 2.431 0.00 0.00 +0.337 C ATOM 36 O LIG 1 2.089 4.956 2.066 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 0.436 4.235 3.443 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 0.021 3.404 3.744 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 5 35 TORSDOF 6