REMARK Name = BDB053340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.629 0.684 1.485 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 0.783 0.253 0.352 0.00 0.00 +0.272 A ATOM 3 N LIG 1 -0.166 -0.144 -0.603 0.00 0.00 -0.244 N ATOM 4 S LIG 1 0.562 -0.691 -2.083 0.00 0.00 +0.017 S ATOM 5 C LIG 1 2.185 -0.399 -1.449 0.00 0.00 +0.130 A ATOM 6 N LIG 1 3.316 -0.632 -2.143 0.00 0.00 -0.244 NA ATOM 7 C LIG 1 4.476 -0.346 -1.491 0.00 0.00 +0.144 A ATOM 8 C LIG 1 4.525 0.157 -0.189 0.00 0.00 +0.145 A ATOM 9 C LIG 1 3.333 0.388 0.505 0.00 0.00 +0.050 A ATOM 10 C LIG 1 2.151 0.096 -0.162 0.00 0.00 +0.076 A ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.589 -0.120 -0.432 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -2.180 0.322 0.765 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -3.572 0.348 0.939 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -4.407 -0.076 -0.096 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -3.856 -0.522 -1.297 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -2.462 -0.541 -1.456 0.00 0.00 +0.029 A BRANCH 14 17 ATOM 17 N LIG 1 -5.864 -0.052 0.079 0.00 0.00 +0.056 N ATOM 18 O LIG 1 -6.564 -0.438 -0.868 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 -6.308 0.352 1.163 0.00 0.00 -0.126 OA ENDBRANCH 14 17 ENDBRANCH 3 11 BRANCH 8 20 ATOM 20 N LIG 1 5.815 0.433 0.428 0.00 0.00 +0.058 N ATOM 21 O LIG 1 5.812 0.877 1.583 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 6.831 0.206 -0.240 0.00 0.00 -0.126 OA ENDBRANCH 8 20 TORSDOF 3