REMARK Name = BDB034656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.400 0.062 1.683 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.789 0.250 1.505 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.146 0.286 2.771 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.569 0.146 0.243 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.960 -1.286 -0.155 0.00 0.00 +0.036 C ATOM 6 C LIG 1 3.786 -1.292 -1.454 0.00 0.00 +0.076 C ATOM 7 C LIG 1 3.117 -0.439 -2.546 0.00 0.00 +0.092 C ATOM 8 N LIG 1 2.885 0.951 -2.120 0.00 0.00 -0.314 NA ATOM 9 H LIG 1 3.776 1.391 -1.889 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.007 0.975 -0.939 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.065 -2.681 -1.923 0.00 0.00 +0.176 A ATOM 12 N LIG 1 3.134 -3.476 -2.471 0.00 0.00 -0.061 NA ATOM 13 O LIG 1 3.837 -4.654 -2.736 0.00 0.00 -0.341 OA ATOM 14 C LIG 1 5.111 -4.438 -2.321 0.00 0.00 +0.343 A ATOM 15 N LIG 1 5.312 -3.247 -1.816 0.00 0.00 -0.199 NA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 17 ATOM 16 C LIG 1 -1.753 0.308 0.407 0.00 0.00 +0.059 A ATOM 17 C LIG 1 -0.515 -0.353 0.573 0.00 0.00 +0.146 A ATOM 18 N LIG 1 -0.101 -1.401 -0.183 0.00 0.00 -0.248 NA ATOM 19 C LIG 1 -0.915 -1.788 -1.188 0.00 0.00 +0.115 A ATOM 20 C LIG 1 -2.130 -1.189 -1.506 0.00 0.00 -0.024 A ATOM 21 C LIG 1 -2.527 -0.126 -0.676 0.00 0.00 +0.030 A BRANCH 20 22 ATOM 22 C LIG 1 -2.987 -1.670 -2.648 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -2.415 -1.739 -4.046 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -3.444 -0.701 -3.715 0.00 0.00 +0.009 C ENDBRANCH 20 22 BRANCH 16 25 ATOM 25 N LIG 1 -2.111 1.416 1.220 0.00 0.00 -0.339 N ATOM 26 H LIG 1 -1.639 1.322 2.133 0.00 0.00 +0.146 HD BRANCH 25 29 ATOM 27 C LIG 1 -5.194 2.490 0.374 0.00 0.00 +0.121 C ATOM 28 C LIG 1 -4.627 1.486 1.405 0.00 0.00 +0.054 C ATOM 29 C LIG 1 -3.287 2.223 1.326 0.00 0.00 +0.075 C ATOM 30 C LIG 1 -3.746 2.926 0.045 0.00 0.00 +0.054 C BRANCH 27 32 ATOM 31 C LIG 1 -6.628 4.410 -0.016 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -6.058 3.511 0.924 0.00 0.00 -0.380 OA ENDBRANCH 27 32 ENDBRANCH 25 29 ENDBRANCH 16 25 ENDBRANCH 1 17 BRANCH 2 33 ATOM 33 C LIG 1 2.539 0.689 2.694 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 3.408 -0.414 3.328 0.00 0.00 +0.000 C ATOM 35 C LIG 1 2.570 -1.597 3.813 0.00 0.00 +0.009 C ATOM 36 C LIG 1 4.212 0.167 4.493 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9