REMARK Name = BDB060001 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.920 -0.294 -0.322 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.723 -1.805 -0.397 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.237 -2.344 -1.268 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.427 -3.724 -1.358 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.347 -4.587 -0.585 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.315 -4.071 0.273 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.506 -2.691 0.364 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.176 0.468 1.870 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.035 0.724 2.824 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.951 0.194 1.156 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.029 0.339 1.756 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.223 0.365 0.871 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.210 0.113 -0.046 0.00 0.00 +0.121 A ATOM 14 N LIG 1 1.882 0.142 0.240 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.519 0.421 1.500 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.459 0.691 2.490 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.820 0.660 2.172 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.464 0.511 -1.713 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.494 0.393 -0.651 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.912 0.154 0.603 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.779 0.109 1.308 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.628 0.319 0.511 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.137 0.502 -0.759 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.205 0.053 -0.998 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.951 -0.189 -0.339 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.298 1.486 -1.296 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.634 1.836 -1.971 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.836 1.651 -1.073 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.649 0.517 -1.204 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.748 0.331 -0.361 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.043 1.279 0.623 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.236 2.411 0.761 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.137 2.596 -0.083 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -8.169 1.089 1.490 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -9.083 0.938 2.190 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9