REMARK Name = BDB034033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.746 1.124 1.421 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.595 0.652 0.442 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.251 -0.150 -0.094 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.145 1.816 2.357 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.734 0.719 1.276 0.00 0.00 +0.165 C BRANCH 5 7 ATOM 6 C LIG 1 0.535 -1.720 0.700 0.00 0.00 +0.213 C ATOM 7 N LIG 1 0.933 -0.714 1.549 0.00 0.00 -0.304 N ATOM 8 H LIG 1 1.633 -0.933 2.248 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -0.172 -1.513 -0.280 0.00 0.00 -0.276 OA BRANCH 6 11 ATOM 10 C LIG 1 0.539 -4.186 0.195 0.00 0.00 +0.013 C ATOM 11 C LIG 1 1.039 -3.087 1.114 0.00 0.00 +0.092 C ENDBRANCH 6 11 ENDBRANCH 5 7 BRANCH 5 12 ATOM 12 C LIG 1 1.312 1.211 -0.058 0.00 0.00 +0.094 C BRANCH 12 13 ATOM 13 C LIG 1 2.790 0.971 -0.129 0.00 0.00 +0.082 A ATOM 14 S LIG 1 3.463 0.062 -1.420 0.00 0.00 -0.072 S ATOM 15 C LIG 1 5.032 0.251 -0.737 0.00 0.00 +0.039 A ATOM 16 C LIG 1 4.929 1.004 0.433 0.00 0.00 +0.078 A ATOM 17 C LIG 1 6.100 1.283 1.160 0.00 0.00 +0.029 A ATOM 18 C LIG 1 7.335 0.804 0.706 0.00 0.00 +0.006 A ATOM 19 C LIG 1 7.431 0.047 -0.468 0.00 0.00 -0.044 A ATOM 20 C LIG 1 6.266 -0.234 -1.203 0.00 0.00 +0.021 A ATOM 21 N LIG 1 3.646 1.406 0.770 0.00 0.00 -0.244 NA BRANCH 19 22 ATOM 22 C LIG 1 8.792 -0.454 -0.926 0.00 0.00 +0.013 C ATOM 23 C LIG 1 8.843 -1.983 -0.975 0.00 0.00 +0.012 C ATOM 24 C LIG 1 9.185 0.148 -2.277 0.00 0.00 +0.012 C ENDBRANCH 19 22 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -3.043 0.858 0.512 0.00 0.00 +0.097 C BRANCH 25 26 ATOM 26 C LIG 1 -3.694 0.752 -0.895 0.00 0.00 +0.011 C ATOM 27 C LIG 1 -3.177 1.866 -1.836 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -3.365 1.555 -3.324 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -4.545 0.628 -3.572 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -4.374 -0.711 -2.855 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -3.547 -0.620 -1.567 0.00 0.00 +0.005 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -3.667 -0.075 1.571 0.00 0.00 +0.167 C BRANCH 32 33 ATOM 33 N LIG 1 -5.048 0.232 1.858 0.00 0.00 -0.250 N ATOM 34 N LIG 1 -6.039 -0.475 1.290 0.00 0.00 -0.065 NA ATOM 35 N LIG 1 -7.186 0.027 1.727 0.00 0.00 -0.133 NA ATOM 36 C LIG 1 -6.903 1.051 2.598 0.00 0.00 +0.096 A ATOM 37 C LIG 1 -5.536 1.186 2.699 0.00 0.00 +0.135 A BRANCH 36 38 ATOM 38 C LIG 1 -7.988 1.809 3.275 0.00 0.00 +0.137 C BRANCH 38 39 ATOM 39 N LIG 1 -8.773 0.899 4.109 0.00 0.00 -0.325 NA ATOM 40 H LIG 1 -9.131 0.161 3.498 0.00 0.00 +0.119 HD ATOM 41 H LIG 1 -8.141 0.420 4.750 0.00 0.00 +0.119 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 2 25 TORSDOF 12