REMARK Name = BDB032476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.768 -1.122 1.067 0.00 0.00 +0.137 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -2.777 0.187 1.335 0.00 0.00 +0.215 A ATOM 3 N LIG 1 -3.529 -0.926 1.450 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 -2.869 -2.103 1.445 0.00 0.00 +0.115 A ATOM 5 C LIG 1 -1.493 -2.217 1.327 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.731 -1.050 1.212 0.00 0.00 -0.024 A ATOM 7 C LIG 1 -1.397 0.178 1.202 0.00 0.00 +0.072 A BRANCH 2 8 ATOM 8 O LIG 1 -3.385 1.424 1.304 0.00 0.00 -0.468 OA BRANCH 8 9 ATOM 9 C LIG 1 -4.750 1.373 1.721 0.00 0.00 +0.304 C BRANCH 9 12 ATOM 10 C LIG 1 -5.090 3.044 -0.832 0.00 0.00 +0.150 C ATOM 11 N LIG 1 -5.409 3.496 0.500 0.00 0.00 -0.335 N ATOM 12 C LIG 1 -5.270 2.775 1.665 0.00 0.00 +0.147 A ATOM 13 N LIG 1 -5.679 3.492 2.697 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -6.072 4.699 2.186 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -5.915 4.724 0.822 0.00 0.00 +0.107 A ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 N LIG 1 1.093 -1.507 -0.300 0.00 0.00 -0.340 N ATOM 17 H LIG 1 0.498 -1.032 -0.976 0.00 0.00 +0.146 HD BRANCH 16 18 ATOM 18 C LIG 1 2.436 -1.493 -0.699 0.00 0.00 +0.028 A ATOM 19 C LIG 1 3.502 -1.761 0.168 0.00 0.00 +0.031 A ATOM 20 C LIG 1 4.838 -1.800 -0.281 0.00 0.00 -0.011 A ATOM 21 C LIG 1 5.131 -1.588 -1.644 0.00 0.00 +0.022 A ATOM 22 C LIG 1 6.493 -1.628 -2.035 0.00 0.00 +0.124 A ATOM 23 N LIG 1 7.498 -1.866 -1.173 0.00 0.00 -0.240 NA ATOM 24 C LIG 1 7.180 -2.075 0.119 0.00 0.00 +0.113 A ATOM 25 C LIG 1 4.049 -1.362 -2.522 0.00 0.00 +0.014 A ATOM 26 C LIG 1 5.887 -2.052 0.607 0.00 0.00 +0.028 A ATOM 27 C LIG 1 2.730 -1.335 -2.056 0.00 0.00 +0.023 A BRANCH 22 28 ATOM 28 N LIG 1 6.873 -1.426 -3.372 0.00 0.00 -0.343 N ATOM 29 H LIG 1 6.552 -0.513 -3.676 0.00 0.00 +0.144 HD ATOM 30 H LIG 1 6.439 -2.136 -3.951 0.00 0.00 +0.144 HD ENDBRANCH 22 28 ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 7