REMARK Name = BDB002023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.758 -0.914 0.198 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.672 -1.834 1.264 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -1.877 -2.552 1.811 0.00 0.00 +0.045 C ATOM 4 C LIG 1 0.578 -2.096 1.844 0.00 0.00 +0.006 A ATOM 5 C LIG 1 1.729 -1.458 1.379 0.00 0.00 +0.010 A ATOM 6 C LIG 1 1.661 -0.545 0.323 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.409 -0.283 -0.257 0.00 0.00 +0.033 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 2.881 0.102 -0.139 0.00 0.00 +0.091 A ATOM 9 N LIG 1 4.115 -0.131 0.431 0.00 0.00 -0.210 NA ATOM 10 C LIG 1 4.978 0.611 -0.230 0.00 0.00 +0.235 A ATOM 11 N LIG 1 4.325 1.329 -1.228 0.00 0.00 -0.290 N ATOM 12 C LIG 1 4.993 2.195 -2.083 0.00 0.00 +0.095 A ATOM 13 C LIG 1 6.316 2.352 -1.948 0.00 0.00 +0.038 A ATOM 14 C LIG 1 6.937 1.548 -0.856 0.00 0.00 +0.116 A ATOM 15 N LIG 1 6.327 0.735 -0.050 0.00 0.00 -0.220 NA ATOM 16 C LIG 1 2.995 1.008 -1.172 0.00 0.00 +0.122 A ENDBRANCH 6 8 BRANCH 1 18 ATOM 17 C LIG 1 -2.357 0.219 -1.392 0.00 0.00 +0.243 C ATOM 18 N LIG 1 -2.022 -0.659 -0.375 0.00 0.00 -0.283 N ATOM 19 H LIG 1 -2.821 -1.151 0.015 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -1.603 0.950 -2.025 0.00 0.00 -0.273 OA BRANCH 17 21 ATOM 21 C LIG 1 -3.859 0.168 -1.705 0.00 0.00 +0.255 C BRANCH 21 22 ATOM 22 O LIG 1 -4.647 -0.304 -0.611 0.00 0.00 -0.371 OA BRANCH 22 24 ATOM 23 C LIG 1 -5.738 0.140 1.465 0.00 0.00 +0.034 C ATOM 24 C LIG 1 -4.993 0.747 0.293 0.00 0.00 +0.157 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 1 18 TORSDOF 5