REMARK Name = BDB016066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.298 1.811 -0.218 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.239 0.584 -0.080 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.582 0.458 -0.024 0.00 0.00 +0.133 A ATOM 4 C LIG 1 -2.411 1.577 -0.150 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.758 2.791 -0.288 0.00 0.00 +0.125 A ATOM 6 N LIG 1 -0.420 2.941 -0.312 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.995 0.852 -0.218 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.593 0.771 -0.187 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.771 1.917 -0.257 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.416 3.163 -0.364 0.00 0.00 +0.011 A ATOM 11 C LIG 1 3.808 3.263 -0.396 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.593 2.113 -0.322 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 7.691 -2.433 -0.704 0.00 0.00 +0.172 C ATOM 14 N LIG 1 6.445 -1.796 -0.356 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.517 -2.487 0.328 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.513 -1.616 0.455 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.798 -0.357 -0.128 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.066 -0.517 -0.649 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -3.859 1.522 -0.217 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -4.719 2.404 0.406 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -5.982 1.998 0.079 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -7.224 2.603 0.493 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -6.007 0.914 -0.716 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -4.715 0.630 -0.901 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.104 -0.833 0.160 0.00 0.00 -0.309 N ATOM 26 C LIG 1 -1.171 -1.964 -0.041 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -1.814 -3.085 0.787 0.00 0.00 +0.026 C ATOM 28 C LIG 1 -2.290 -2.328 2.013 0.00 0.00 +0.021 C ATOM 29 C LIG 1 -2.833 -1.024 1.430 0.00 0.00 +0.107 C BRANCH 26 30 ATOM 30 C LIG 1 -1.028 -2.333 -1.522 0.00 0.00 +0.178 C BRANCH 30 31 ATOM 31 O LIG 1 -0.264 -3.525 -1.702 0.00 0.00 -0.393 OA ATOM 32 H LIG 1 -0.832 -4.275 -1.458 0.00 0.00 +0.209 HD ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 3 25 TORSDOF 6