REMARK Name = BDB024422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.458 -0.435 0.608 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.668 1.007 1.057 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.831 2.073 0.157 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.985 3.383 0.620 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.973 3.651 1.986 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.809 2.609 2.894 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.656 1.300 2.434 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.333 -0.646 -0.922 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.877 -0.825 -1.522 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.801 -1.179 -2.468 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.326 -0.707 -1.659 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.202 -0.607 -1.160 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.074 -1.198 -2.001 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.401 -1.043 -1.759 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.928 -0.295 -0.715 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.005 0.331 0.121 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.631 0.183 -0.106 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.355 -0.159 -0.494 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.334 -0.317 -1.455 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.528 -0.090 -0.832 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.842 -0.135 -1.425 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.401 0.207 0.473 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.082 0.167 0.676 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.398 -1.399 1.250 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -0.992 -2.331 1.157 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.773 -1.479 0.739 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.598 -0.186 0.717 0.00 0.00 +0.052 C BRANCH 27 32 ATOM 28 C LIG 1 -9.002 -1.257 -0.962 0.00 0.00 +0.065 C ATOM 29 C LIG 1 -7.607 -0.974 -0.491 0.00 0.00 +0.038 A ATOM 30 N LIG 1 -6.639 -0.892 -1.433 0.00 0.00 -0.260 NA ATOM 31 C LIG 1 -5.380 -0.634 -1.010 0.00 0.00 +0.114 A ATOM 32 C LIG 1 -5.028 -0.450 0.323 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -6.043 -0.545 1.275 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -7.348 -0.807 0.866 0.00 0.00 +0.023 A ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8