REMARK Name = BDB004547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.410 -1.497 -0.701 0.00 0.00 -0.320 N ATOM 2 H LIG 1 0.266 -1.231 -1.670 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.224 -0.610 0.011 0.00 0.00 +0.130 A ATOM 4 C LIG 1 2.407 -0.113 -0.575 0.00 0.00 +0.041 A ATOM 5 C LIG 1 3.173 0.777 0.204 0.00 0.00 +0.088 A ATOM 6 C LIG 1 4.349 1.304 -0.373 0.00 0.00 +0.063 A ATOM 7 C LIG 1 4.754 0.943 -1.673 0.00 0.00 +0.015 A ATOM 8 C LIG 1 4.004 0.052 -2.423 0.00 0.00 +0.002 A ATOM 9 N LIG 1 2.782 1.100 1.457 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 1.667 0.533 1.929 0.00 0.00 +0.223 A ATOM 11 C LIG 1 2.841 -0.473 -1.877 0.00 0.00 +0.013 A ATOM 12 N LIG 1 0.881 -0.315 1.274 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 5.250 2.268 0.335 0.00 0.00 +0.244 C ATOM 14 O LIG 1 6.277 2.690 -0.187 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 4.907 2.681 1.587 0.00 0.00 -0.325 N ATOM 16 H LIG 1 4.076 2.316 2.045 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 5.520 3.311 2.083 0.00 0.00 +0.145 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -0.864 -1.926 -0.109 0.00 0.00 +0.116 C BRANCH 18 21 ATOM 19 C LIG 1 -3.759 0.162 1.280 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -2.777 -0.821 1.117 0.00 0.00 +0.051 A ATOM 21 C LIG 1 -1.895 -0.806 0.021 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.027 0.227 -0.919 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -3.004 1.211 -0.761 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.869 1.180 0.335 0.00 0.00 +0.045 A BRANCH 19 26 ATOM 25 C LIG 1 -5.521 1.010 2.631 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -4.539 0.010 2.393 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 18 21 BRANCH 18 27 ATOM 27 C LIG 1 -1.431 -3.080 -0.999 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 N LIG 1 -1.572 -2.736 -2.433 0.00 0.00 -0.328 NA ATOM 29 H LIG 1 -1.899 -3.565 -2.929 0.00 0.00 +0.118 HD ATOM 30 H LIG 1 -2.326 -2.052 -2.520 0.00 0.00 +0.118 HD ENDBRANCH 27 28 ENDBRANCH 18 27 ENDBRANCH 1 18 TORSDOF 7