REMARK Name = BDB058518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.879 -0.887 0.420 0.00 0.00 +0.027 A ATOM 2 C LIG 1 -0.163 0.194 0.921 0.00 0.00 -0.003 A ATOM 3 C LIG 1 1.217 -0.138 1.120 0.00 0.00 +0.021 A ATOM 4 C LIG 1 1.515 -1.442 0.780 0.00 0.00 +0.005 A ATOM 5 S LIG 1 0.129 -2.265 0.216 0.00 0.00 -0.091 S ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -5.034 -1.163 -0.715 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -4.495 -1.980 0.297 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -3.147 -1.899 0.665 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.290 -0.996 0.029 0.00 0.00 -0.011 A ATOM 10 C LIG 1 -2.812 -0.177 -0.977 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -4.162 -0.261 -1.343 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -6.957 -0.324 -2.224 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -6.523 -1.278 -1.089 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -6.832 -2.716 -1.559 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -7.392 -0.949 0.143 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -0.761 1.499 1.188 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -0.229 2.644 0.585 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -0.786 3.900 0.837 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -1.885 4.031 1.696 0.00 0.00 -0.034 A ATOM 20 C LIG 1 -2.404 2.885 2.313 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.846 1.628 2.061 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -2.472 5.388 1.988 0.00 0.00 +0.113 C BRANCH 22 23 ATOM 23 N LIG 1 -1.802 6.021 3.119 0.00 0.00 -0.326 NA ATOM 24 H LIG 1 -0.806 6.082 2.915 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -1.874 5.402 3.927 0.00 0.00 +0.119 HD ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 2.839 -2.142 0.862 0.00 0.00 +0.123 C BRANCH 26 27 ATOM 27 N LIG 1 3.805 -1.482 -0.018 0.00 0.00 -0.311 NA ATOM 28 H LIG 1 3.443 -1.502 -0.972 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 5.104 -2.153 0.026 0.00 0.00 +0.084 C BRANCH 29 30 ATOM 30 C LIG 1 6.113 -1.477 -0.919 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.393 -0.015 -0.550 0.00 0.00 +0.020 C ATOM 32 C LIG 1 7.376 0.625 -1.539 0.00 0.00 +0.081 C ATOM 33 N LIG 1 8.366 -0.302 -2.094 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 9.214 0.209 -2.332 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 8.668 -1.390 -1.175 0.00 0.00 +0.081 C ATOM 36 C LIG 1 7.437 -2.271 -0.948 0.00 0.00 +0.020 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 9