REMARK Name = BDB027841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.753 0.381 0.063 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.875 1.726 -0.039 0.00 0.00 -0.245 NA ATOM 3 C LIG 1 0.759 2.482 -0.101 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -0.536 1.942 -0.052 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -1.643 2.813 -0.114 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -1.431 4.175 -0.228 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -0.206 4.727 -0.284 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -0.658 0.539 0.069 0.00 0.00 +0.041 A ATOM 9 C LIG 1 0.841 3.863 -0.217 0.00 0.00 +0.139 A ATOM 10 C LIG 1 0.508 -0.234 0.124 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -1.940 -0.057 0.106 0.00 0.00 -0.327 N ATOM 12 C LIG 1 -2.203 -0.954 1.256 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -2.419 -2.422 0.825 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -3.466 -2.635 -0.191 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -4.362 -2.796 0.269 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -3.609 -1.463 -1.079 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -2.331 -0.608 -1.214 0.00 0.00 +0.120 C ENDBRANCH 8 11 BRANCH 1 22 ATOM 18 C LIG 1 5.351 -0.522 0.720 0.00 0.00 +0.111 A ATOM 19 N LIG 1 5.478 -1.772 0.231 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 4.378 -2.312 -0.330 0.00 0.00 +0.111 A ATOM 21 C LIG 1 3.154 -1.663 -0.413 0.00 0.00 +0.030 A ATOM 22 C LIG 1 3.025 -0.369 0.111 0.00 0.00 +0.003 A ATOM 23 C LIG 1 4.171 0.203 0.682 0.00 0.00 +0.030 A ENDBRANCH 1 22 TORSDOF 2