REMARK Name = BDB057941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.007 -0.692 -0.557 0.00 0.00 +0.203 A ATOM 2 N LIG 1 -0.664 0.649 -0.652 0.00 0.00 -0.308 N ATOM 3 C LIG 1 0.659 0.720 -1.049 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.049 -0.608 -1.169 0.00 0.00 +0.091 A ATOM 5 C LIG 1 2.359 -0.918 -1.563 0.00 0.00 +0.034 A ATOM 6 C LIG 1 3.270 0.121 -1.826 0.00 0.00 -0.031 A ATOM 7 C LIG 1 2.843 1.452 -1.703 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.537 1.779 -1.313 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.019 -1.450 -0.863 0.00 0.00 -0.214 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.512 1.813 -0.400 0.00 0.00 +0.091 C ATOM 11 C LIG 1 -1.988 1.905 1.066 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -3.337 2.617 1.215 0.00 0.00 +0.033 C ATOM 13 C LIG 1 -3.496 3.752 0.208 0.00 0.00 +0.115 C ATOM 14 C LIG 1 -3.452 3.244 -1.236 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -2.661 1.941 -1.411 0.00 0.00 +0.028 C BRANCH 13 16 ATOM 16 O LIG 1 -2.424 4.676 0.388 0.00 0.00 -0.392 OA ATOM 17 H LIG 1 -2.556 5.115 1.247 0.00 0.00 +0.210 HD ENDBRANCH 13 16 ENDBRANCH 2 10 BRANCH 1 20 ATOM 18 O LIG 1 -1.919 -3.431 -0.425 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 -2.594 -2.463 -0.102 0.00 0.00 +0.250 C ATOM 20 N LIG 1 -2.258 -1.125 -0.172 0.00 0.00 -0.252 N ATOM 21 H LIG 1 -2.958 -0.433 0.028 0.00 0.00 +0.158 HD BRANCH 19 22 ATOM 22 C LIG 1 -3.975 -2.727 0.401 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -4.577 -1.913 1.369 0.00 0.00 +0.045 A ATOM 24 C LIG 1 -5.881 -2.204 1.794 0.00 0.00 +0.127 A ATOM 25 C LIG 1 -6.579 -3.305 1.284 0.00 0.00 +0.033 A ATOM 26 C LIG 1 -5.964 -4.126 0.340 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -4.668 -3.840 -0.098 0.00 0.00 +0.013 A BRANCH 24 28 ATOM 28 N LIG 1 -6.523 -1.327 2.779 0.00 0.00 +0.056 N ATOM 29 O LIG 1 -7.556 -1.732 3.328 0.00 0.00 -0.126 OA ATOM 30 O LIG 1 -5.995 -0.225 2.989 0.00 0.00 -0.126 OA ENDBRANCH 24 28 ENDBRANCH 19 22 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 C LIG 1 4.689 -0.198 -2.252 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 5.659 -0.455 -1.183 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 5.384 -1.635 -0.373 0.00 0.00 +0.085 C ATOM 34 C LIG 1 6.655 -2.068 0.370 0.00 0.00 +0.015 C ATOM 35 C LIG 1 7.516 -0.893 0.840 0.00 0.00 +0.002 C ATOM 36 C LIG 1 6.691 0.381 0.948 0.00 0.00 +0.015 C ATOM 37 C LIG 1 6.003 0.724 -0.382 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7