REMARK Name = BDB053204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.618 -2.144 0.558 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.165 -1.904 1.791 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -0.482 -0.744 2.362 0.00 0.00 +0.215 A ATOM 4 N LIG 1 -1.235 0.203 1.807 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 -1.739 -0.060 0.585 0.00 0.00 +0.078 A ATOM 6 C LIG 1 -1.438 -1.233 -0.082 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.594 0.997 0.000 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.676 0.684 -0.850 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -4.434 1.736 -1.383 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -4.176 3.073 -1.111 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -5.164 3.785 -1.843 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -5.978 2.975 -2.513 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 -3.108 3.395 -0.258 0.00 0.00 +0.014 A ATOM 14 N LIG 1 -5.520 1.748 -2.217 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -5.997 0.950 -2.621 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 -2.340 2.353 0.286 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 -5.289 5.121 -1.857 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -6.173 5.465 -2.219 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -4.952 5.655 -1.067 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 -0.888 -4.884 1.726 0.00 0.00 +0.028 C ATOM 21 C LIG 1 0.150 -4.501 0.671 0.00 0.00 +0.072 C ATOM 22 N LIG 1 -0.232 -3.312 -0.127 0.00 0.00 -0.312 N ATOM 23 C LIG 1 0.725 -3.021 -1.216 0.00 0.00 +0.119 C ATOM 24 C LIG 1 2.180 -2.882 -0.734 0.00 0.00 +0.092 C ATOM 25 C LIG 1 2.587 -4.078 0.140 0.00 0.00 +0.016 C ATOM 26 C LIG 1 1.569 -4.388 1.241 0.00 0.00 +0.023 C BRANCH 24 27 ATOM 27 C LIG 1 2.474 -1.539 -0.061 0.00 0.00 +0.218 C ATOM 28 N LIG 1 2.171 -0.438 -0.841 0.00 0.00 -0.312 N ATOM 29 H LIG 1 2.051 -0.567 -1.836 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 2.990 -1.437 1.049 0.00 0.00 -0.275 OA BRANCH 28 31 ATOM 31 C LIG 1 2.412 0.917 -0.365 0.00 0.00 +0.073 C ATOM 32 C LIG 1 1.533 1.913 -1.122 0.00 0.00 +0.022 C ATOM 33 C LIG 1 1.672 3.331 -0.564 0.00 0.00 +0.002 C ATOM 34 C LIG 1 3.050 3.618 0.036 0.00 0.00 +0.000 C ATOM 35 C LIG 1 4.142 2.795 -0.633 0.00 0.00 +0.002 C ATOM 36 C LIG 1 3.900 1.290 -0.483 0.00 0.00 +0.022 C ENDBRANCH 28 31 ENDBRANCH 24 27 ENDBRANCH 1 22 BRANCH 3 37 ATOM 37 N LIG 1 0.086 -0.474 3.594 0.00 0.00 -0.327 N ATOM 38 H LIG 1 0.162 0.527 3.705 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 0.951 -0.998 3.651 0.00 0.00 +0.145 HD ENDBRANCH 3 37 TORSDOF 6