REMARK Name = BDB005119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.494 2.732 -0.314 0.00 0.00 -0.026 A ATOM 2 C LIG 1 0.271 2.030 -0.323 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.529 1.927 0.826 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.089 2.521 2.005 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.121 3.219 2.034 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.904 3.325 0.884 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.740 1.214 0.704 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -1.950 0.867 -0.222 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.704 1.018 1.677 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -2.701 1.471 2.816 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.872 0.195 1.246 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.739 -0.866 0.343 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -4.864 -1.599 -0.043 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -6.130 -1.305 0.487 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -6.253 -0.249 1.401 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -5.131 0.491 1.783 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 -7.357 -2.085 0.049 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -7.154 -3.545 0.024 0.00 0.00 -0.304 NA ATOM 19 C LIG 1 -7.024 -4.091 1.379 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -8.269 -4.195 -0.667 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 3.103 4.086 -1.847 0.00 0.00 +0.033 C ATOM 22 C LIG 1 2.325 2.795 -1.587 0.00 0.00 +0.099 C BRANCH 22 23 ATOM 23 N LIG 1 3.115 1.570 -1.782 0.00 0.00 -0.322 N ATOM 24 H LIG 1 2.514 0.757 -1.677 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 4.288 1.321 -1.046 0.00 0.00 +0.130 A ATOM 26 C LIG 1 5.013 0.132 -1.289 0.00 0.00 +0.041 A ATOM 27 C LIG 1 6.172 -0.077 -0.513 0.00 0.00 +0.088 A ATOM 28 C LIG 1 6.899 -1.267 -0.730 0.00 0.00 +0.063 A ATOM 29 C LIG 1 6.493 -2.210 -1.695 0.00 0.00 +0.015 A ATOM 30 C LIG 1 5.364 -1.987 -2.466 0.00 0.00 +0.002 A ATOM 31 N LIG 1 6.559 0.843 0.397 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 5.815 1.945 0.525 0.00 0.00 +0.223 A ATOM 33 C LIG 1 4.632 -0.826 -2.265 0.00 0.00 +0.013 A ATOM 34 N LIG 1 4.706 2.226 -0.155 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 8.143 -1.618 0.026 0.00 0.00 +0.244 C ATOM 36 O LIG 1 8.774 -2.642 -0.213 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 8.575 -0.767 0.999 0.00 0.00 -0.325 N ATOM 38 H LIG 1 8.091 0.110 1.173 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 9.441 -0.967 1.478 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8