REMARK Name = BDB038774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.285 -0.518 -1.466 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.157 -0.341 -0.203 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -3.431 0.133 -0.434 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -3.788 0.028 -1.378 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.735 -0.612 0.922 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -4.453 0.050 0.615 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -5.243 -1.245 0.342 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -5.302 -1.770 -0.769 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -5.916 -1.784 1.399 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -6.497 -2.592 1.223 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -6.051 -1.282 2.269 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -5.376 1.275 0.560 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 -6.282 1.405 1.762 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -5.753 1.748 3.015 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -6.585 1.841 4.131 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.952 1.596 4.006 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.488 1.261 2.764 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.658 1.168 1.646 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 0.095 -0.693 -1.020 0.00 0.00 -0.302 N ATOM 20 H LIG 1 0.205 -1.058 -0.077 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.139 0.035 -1.554 0.00 0.00 +0.230 C ATOM 22 O LIG 1 1.013 0.775 -2.524 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 2.483 -0.220 -0.833 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 2.869 -1.633 -1.030 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 3.023 -1.790 -2.027 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 2.077 -2.229 -0.785 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 3.578 0.723 -1.351 0.00 0.00 +0.029 C BRANCH 27 28 ATOM 28 C LIG 1 4.880 0.620 -0.551 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 5.932 1.595 -1.087 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 7.182 1.489 -0.319 0.00 0.00 -0.346 N ATOM 31 C LIG 1 8.384 1.675 -1.139 0.00 0.00 +0.146 C BRANCH 30 32 ATOM 32 C LIG 1 7.240 1.852 1.006 0.00 0.00 +0.192 C ATOM 33 N LIG 1 6.454 2.683 1.599 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 5.798 3.069 0.924 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 8.233 1.206 1.676 0.00 0.00 -0.359 N ATOM 36 H LIG 1 8.400 0.286 1.288 0.00 0.00 +0.162 HD ATOM 37 C LIG 1 8.308 1.244 3.119 0.00 0.00 +0.142 C ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 38 ATOM 38 C LIG 1 -1.773 -1.694 -2.349 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -1.038 -1.694 -3.696 0.00 0.00 +0.010 C BRANCH 38 41 ATOM 40 C LIG 1 -2.292 -4.206 -2.395 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -1.645 -3.057 -1.633 0.00 0.00 +0.002 C ENDBRANCH 38 41 ENDBRANCH 1 38 TORSDOF 16