REMARK Name = BDB005118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.603 -1.764 0.204 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.548 -3.125 -0.168 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -2.721 -3.845 -0.775 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -0.353 -3.843 0.018 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.770 -3.232 0.573 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.719 -1.893 0.967 0.00 0.00 -0.029 A ATOM 7 C LIG 1 -0.468 -1.169 0.770 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -3.029 0.306 0.178 0.00 0.00 +0.248 C ATOM 9 N LIG 1 -2.809 -1.050 0.005 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -3.575 -1.578 -0.387 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.196 1.161 0.452 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 -7.063 1.620 -0.505 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -6.833 0.394 0.122 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -5.523 -0.045 0.353 0.00 0.00 +0.016 A ATOM 15 C LIG 1 -4.436 0.740 -0.052 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.666 1.976 -0.662 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -5.974 2.407 -0.892 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -9.430 1.420 -0.386 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -8.286 2.160 -0.790 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 6 20 ATOM 20 C LIG 1 1.940 -1.218 1.549 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.786 -0.769 0.450 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.253 -0.180 -0.186 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.958 -0.086 0.836 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.829 0.410 -0.157 0.00 0.00 +0.041 A ATOM 25 C LIG 1 5.977 1.092 0.292 0.00 0.00 +0.088 A ATOM 26 C LIG 1 6.854 1.607 -0.686 0.00 0.00 +0.063 A ATOM 27 C LIG 1 6.599 1.438 -2.062 0.00 0.00 +0.015 A ATOM 28 C LIG 1 5.475 0.752 -2.492 0.00 0.00 +0.002 A ATOM 29 N LIG 1 6.213 1.231 1.617 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 5.333 0.694 2.471 0.00 0.00 +0.223 A ATOM 31 C LIG 1 4.598 0.241 -1.546 0.00 0.00 +0.013 A ATOM 32 N LIG 1 4.221 0.040 2.145 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 8.106 2.358 -0.353 0.00 0.00 +0.244 C ATOM 34 O LIG 1 8.854 2.782 -1.228 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 8.409 2.568 0.959 0.00 0.00 -0.325 N ATOM 36 H LIG 1 7.807 2.212 1.696 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 9.255 3.066 1.194 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 7