REMARK Name = BDB008202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.666 1.035 -1.280 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.158 -0.434 0.675 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.560 0.168 -0.504 0.00 0.00 -0.302 N ATOM 4 H LIG 1 2.530 0.461 -0.511 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.006 -0.440 1.071 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.297 -1.097 1.478 0.00 0.00 +0.157 C ATOM 7 C LIG 1 2.979 -2.193 0.667 0.00 0.00 +0.038 C BRANCH 6 12 ATOM 8 C LIG 1 2.375 -2.577 6.127 0.00 0.00 +0.129 C ATOM 9 N LIG 1 1.735 -2.224 4.886 0.00 0.00 -0.302 N ATOM 10 H LIG 1 0.905 -2.740 4.634 0.00 0.00 +0.150 HD ATOM 11 C LIG 1 2.495 -1.820 3.818 0.00 0.00 +0.300 C ATOM 12 N LIG 1 1.723 -1.640 2.704 0.00 0.00 -0.288 N ATOM 13 H LIG 1 0.760 -1.369 2.877 0.00 0.00 +0.151 HD ATOM 14 O LIG 1 3.705 -1.650 3.852 0.00 0.00 -0.253 OA ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 0.577 2.404 -0.547 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -0.351 3.300 -1.038 0.00 0.00 -0.303 N ATOM 17 H LIG 1 -1.167 2.907 -1.492 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 1.374 2.716 0.340 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -0.643 4.525 -0.298 0.00 0.00 +0.156 C ATOM 20 C LIG 1 -0.884 5.686 -1.252 0.00 0.00 +0.038 C BRANCH 19 21 ATOM 21 C LIG 1 -1.911 4.265 0.531 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -2.758 3.432 0.214 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 -2.095 5.072 1.616 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -1.299 5.498 2.075 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -2.877 4.827 2.211 0.00 0.00 +0.145 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 26 ATOM 26 C LIG 1 -0.685 0.404 -1.653 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -0.549 -0.979 -2.301 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -1.917 -1.556 -2.666 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 -1.750 -2.845 -3.312 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -0.993 -2.859 -3.987 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.785 -3.607 -3.728 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -4.026 -3.505 -3.434 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -4.161 -2.724 -2.792 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 -2.375 -4.593 -4.547 0.00 0.00 -0.370 N ATOM 35 H LIG 1 -1.610 -5.124 -4.149 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 -3.162 -5.211 -4.728 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12