REMARK Name = BDB027876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.235 -1.086 -0.221 0.00 0.00 +0.133 A ATOM 2 C LIG 1 1.640 -2.201 0.530 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.888 -2.087 1.141 0.00 0.00 +0.095 A ATOM 4 C LIG 1 3.298 -3.183 1.887 0.00 0.00 +0.139 A ATOM 5 N LIG 1 2.599 -4.335 2.070 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 1.398 -4.405 1.470 0.00 0.00 +0.111 A ATOM 7 N LIG 1 3.660 -0.995 1.028 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 3.187 0.020 0.287 0.00 0.00 +0.162 A ATOM 9 C LIG 1 0.881 -3.381 0.701 0.00 0.00 +0.033 A ATOM 10 N LIG 1 2.003 0.013 -0.346 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 4.027 1.225 0.155 0.00 0.00 +0.022 A ATOM 12 C LIG 1 3.619 2.323 -0.618 0.00 0.00 +0.031 A ATOM 13 C LIG 1 4.442 3.435 -0.713 0.00 0.00 +0.111 A ATOM 14 N LIG 1 5.636 3.538 -0.098 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 6.025 2.482 0.643 0.00 0.00 +0.111 A ATOM 16 C LIG 1 5.271 1.329 0.797 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -0.015 -1.129 -0.906 0.00 0.00 -0.317 N ATOM 18 C LIG 1 0.263 -1.526 -2.296 0.00 0.00 +0.130 C BRANCH 17 19 ATOM 19 C LIG 1 -0.752 0.150 -0.785 0.00 0.00 +0.113 C BRANCH 19 20 ATOM 20 C LIG 1 -2.241 -0.062 -0.366 0.00 0.00 -0.006 C ATOM 21 C LIG 1 -2.986 -0.945 -1.385 0.00 0.00 +0.014 C ATOM 22 C LIG 1 -2.302 -0.738 1.017 0.00 0.00 +0.014 C BRANCH 20 23 ATOM 23 C LIG 1 -2.894 1.358 -0.321 0.00 0.00 +0.091 C BRANCH 23 25 ATOM 24 C LIG 1 -5.129 2.122 -0.880 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -4.318 1.352 0.064 0.00 0.00 -0.308 NA ATOM 26 C LIG 1 -4.511 1.875 1.419 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 6