REMARK Name = BDB031296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.706 -0.528 -0.226 0.00 0.00 +0.035 A ATOM 2 C LIG 1 2.438 0.337 0.598 0.00 0.00 +0.051 A ATOM 3 C LIG 1 3.810 0.282 0.502 0.00 0.00 +0.069 A ATOM 4 C LIG 1 4.466 -0.584 -0.368 0.00 0.00 +0.067 A ATOM 5 N LIG 1 5.834 -0.388 -0.219 0.00 0.00 -0.306 N ATOM 6 H LIG 1 6.578 -0.859 -0.706 0.00 0.00 +0.170 HD ATOM 7 C LIG 1 6.045 0.606 0.748 0.00 0.00 +0.325 A ATOM 8 O LIG 1 7.120 1.031 1.130 0.00 0.00 -0.247 OA ATOM 9 C LIG 1 3.784 -1.444 -1.190 0.00 0.00 +0.029 A ATOM 10 N LIG 1 4.777 1.013 1.187 0.00 0.00 -0.306 N ATOM 11 H LIG 1 4.621 1.722 1.884 0.00 0.00 +0.170 HD ATOM 12 C LIG 1 2.385 -1.409 -1.110 0.00 0.00 +0.025 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -0.589 0.176 0.509 0.00 0.00 +0.219 C ATOM 14 N LIG 1 0.296 -0.588 -0.237 0.00 0.00 -0.285 N ATOM 15 H LIG 1 -0.116 -1.250 -0.884 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -0.293 1.041 1.326 0.00 0.00 -0.275 OA BRANCH 13 17 ATOM 17 C LIG 1 -2.029 -0.209 0.232 0.00 0.00 +0.115 C BRANCH 17 18 ATOM 18 C LIG 1 -2.999 0.791 0.850 0.00 0.00 +0.113 C BRANCH 18 21 ATOM 19 C LIG 1 -6.489 0.140 -0.489 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -5.014 0.437 -0.538 0.00 0.00 +0.210 C ATOM 21 N LIG 1 -4.389 0.398 0.689 0.00 0.00 -0.315 N ATOM 22 H LIG 1 -4.966 0.376 1.520 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -4.435 0.692 -1.589 0.00 0.00 -0.276 OA ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 1 14 TORSDOF 4