REMARK Name = BDB034232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.034 2.468 -1.017 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.342 1.337 -0.252 0.00 0.00 +0.051 A ATOM 3 C LIG 1 2.666 0.932 -0.181 0.00 0.00 -0.015 A ATOM 4 C LIG 1 3.265 -0.236 0.527 0.00 0.00 +0.145 C ATOM 5 N LIG 1 4.688 -0.068 0.287 0.00 0.00 -0.279 N ATOM 6 C LIG 1 4.941 0.974 -0.599 0.00 0.00 +0.248 C ATOM 7 O LIG 1 6.005 1.295 -1.092 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.659 1.637 -0.855 0.00 0.00 +0.042 A ATOM 9 C LIG 1 3.389 2.749 -1.625 0.00 0.00 +0.017 A ATOM 10 C LIG 1 2.056 3.160 -1.701 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.666 -1.135 0.563 0.00 0.00 +0.116 C ATOM 12 C LIG 1 5.738 -2.293 -0.558 0.00 0.00 +0.243 C ATOM 13 O LIG 1 4.966 -2.477 -1.498 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 6.765 -3.186 -0.315 0.00 0.00 -0.254 N ATOM 15 H LIG 1 6.848 -3.984 -0.928 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.455 -3.217 0.882 0.00 0.00 +0.223 C ATOM 17 O LIG 1 8.192 -4.159 1.159 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.136 -1.969 1.798 0.00 0.00 +0.080 C ATOM 19 C LIG 1 5.604 -1.724 2.021 0.00 0.00 +0.048 C ATOM 20 C LIG 1 7.084 -0.617 1.016 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 -0.215 2.992 -1.207 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 -1.966 1.252 -0.984 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -1.297 2.531 -0.376 0.00 0.00 +0.190 C ATOM 24 C LIG 1 -2.299 3.689 -0.287 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -2.867 4.084 -1.653 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -2.989 2.910 -2.622 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -3.183 1.590 -1.885 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 -3.497 -1.056 1.038 0.00 0.00 +0.048 C ATOM 29 C LIG 1 -3.236 0.484 1.030 0.00 0.00 +0.094 C ATOM 30 N LIG 1 -2.146 0.230 0.070 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -2.838 -0.995 -0.378 0.00 0.00 +0.094 C BRANCH 28 33 ATOM 32 C LIG 1 -5.348 -2.934 0.794 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -4.989 -1.617 1.177 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -6.027 -0.827 1.720 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.337 -1.297 1.853 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.658 -2.586 1.452 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.665 -3.407 0.926 0.00 0.00 +0.019 A BRANCH 32 39 ATOM 38 N LIG 1 -3.560 -4.556 -0.162 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 -4.360 -3.833 0.268 0.00 0.00 +0.099 C ENDBRANCH 32 39 ENDBRANCH 28 33 ENDBRANCH 22 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6