REMARK Name = BDB034837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.768 0.671 -0.068 0.00 0.00 +0.109 C ATOM 2 C LIG 1 5.455 1.332 -0.401 0.00 0.00 +0.213 C ATOM 3 N LIG 1 4.291 0.659 -0.048 0.00 0.00 -0.293 N ATOM 4 C LIG 1 3.032 1.386 -0.284 0.00 0.00 +0.183 C ATOM 5 C LIG 1 1.850 0.493 -0.169 0.00 0.00 +0.147 A ATOM 6 N LIG 1 1.955 -0.803 0.229 0.00 0.00 -0.244 N ATOM 7 N LIG 1 0.762 -1.414 0.277 0.00 0.00 -0.133 NA ATOM 8 C LIG 1 -0.051 -0.424 -0.109 0.00 0.00 +0.241 A ATOM 9 C LIG 1 3.188 -1.477 0.551 0.00 0.00 +0.164 C ATOM 10 N LIG 1 0.578 0.756 -0.379 0.00 0.00 -0.197 NA ATOM 11 C LIG 1 4.252 -0.449 0.918 0.00 0.00 +0.131 C ATOM 12 O LIG 1 5.438 2.420 -0.975 0.00 0.00 -0.276 OA ENDROOT BRANCH 8 13 ATOM 13 N LIG 1 -1.396 -0.628 -0.200 0.00 0.00 -0.253 N ATOM 14 H LIG 1 -1.668 -1.570 0.032 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -2.316 0.314 -0.596 0.00 0.00 +0.224 C ATOM 16 O LIG 1 -2.082 1.462 -0.954 0.00 0.00 -0.275 OA BRANCH 15 17 ATOM 17 C LIG 1 -3.732 -0.234 -0.590 0.00 0.00 +0.095 C ATOM 18 C LIG 1 -4.764 0.827 -0.956 0.00 0.00 +0.129 C ATOM 19 N LIG 1 -6.040 0.310 -0.384 0.00 0.00 -0.269 N ATOM 20 C LIG 1 -5.723 -0.716 0.640 0.00 0.00 +0.117 C ATOM 21 C LIG 1 -4.208 -0.681 0.785 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 22 C LIG 1 -7.225 0.921 -0.504 0.00 0.00 +0.169 C ATOM 23 N LIG 1 -8.253 1.442 -0.600 0.00 0.00 -0.174 NA ENDBRANCH 19 22 ENDBRANCH 15 17 ENDBRANCH 8 13 TORSDOF 3