REMARK Name = BDB027846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.858 -0.594 -0.436 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.553 -1.448 -1.530 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.777 -1.460 -1.988 0.00 0.00 +0.091 A ATOM 4 C LIG 1 1.054 -2.284 -3.069 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.168 -3.086 -3.715 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -1.088 -3.073 -3.244 0.00 0.00 +0.111 A ATOM 7 N LIG 1 1.760 -0.732 -1.427 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.474 0.046 -0.358 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -1.491 -2.289 -2.176 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.188 0.116 0.165 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.616 0.793 0.208 0.00 0.00 +0.003 A ATOM 12 C LIG 1 3.917 0.276 0.134 0.00 0.00 +0.030 A ATOM 13 C LIG 1 4.971 0.995 0.675 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.829 2.191 1.281 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 3.579 2.690 1.337 0.00 0.00 +0.111 A ATOM 16 C LIG 1 2.463 2.043 0.825 0.00 0.00 +0.030 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -2.177 -0.555 0.098 0.00 0.00 -0.338 N ATOM 18 H LIG 1 -2.882 -0.691 -0.622 0.00 0.00 +0.147 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.318 -0.260 2.593 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.581 0.317 1.221 0.00 0.00 +0.029 C ATOM 21 C LIG 1 -2.570 1.821 1.054 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -3.876 1.090 1.065 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3