REMARK Name = BDB009094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.512 -1.475 0.979 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.125 -1.833 -0.217 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.139 -2.805 -0.241 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -1.487 -3.447 0.953 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.858 -3.096 2.146 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.134 -2.112 2.159 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 2.297 -0.370 3.095 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.281 0.023 1.935 0.00 0.00 +0.248 C ATOM 9 N LIG 1 1.502 -0.470 0.904 0.00 0.00 -0.281 N ATOM 10 H LIG 1 1.692 -0.120 -0.025 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 3.211 1.125 1.551 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.448 1.209 2.203 0.00 0.00 +0.021 A ATOM 13 C LIG 1 5.363 2.223 1.879 0.00 0.00 -0.017 A ATOM 14 C LIG 1 5.024 3.173 0.889 0.00 0.00 -0.018 A ATOM 15 C LIG 1 5.943 4.184 0.563 0.00 0.00 +0.008 A ATOM 16 C LIG 1 7.180 4.257 1.206 0.00 0.00 +0.001 A ATOM 17 C LIG 1 7.512 3.322 2.183 0.00 0.00 +0.001 A ATOM 18 C LIG 1 3.773 3.091 0.256 0.00 0.00 +0.009 A ATOM 19 C LIG 1 6.610 2.311 2.519 0.00 0.00 +0.008 A ATOM 20 C LIG 1 2.868 2.079 0.587 0.00 0.00 +0.013 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 21 ATOM 21 C LIG 1 -1.821 -3.177 -1.536 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -2.384 -1.974 -2.289 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -3.631 -1.308 -1.798 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -4.370 -1.833 -0.599 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -5.776 -1.242 -0.446 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.771 0.261 -0.691 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.254 0.584 -2.095 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -4.046 -0.225 -2.479 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -3.294 0.237 -3.673 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -3.646 1.217 -4.321 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -2.188 -0.497 -4.005 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -1.657 -0.190 -4.813 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -1.713 -1.577 -3.332 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4