REMARK Name = BDB053814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.012 -0.589 0.706 0.00 0.00 +0.241 A ATOM 2 N LIG 1 0.918 0.064 0.008 0.00 0.00 -0.126 NA ATOM 3 N LIG 1 2.054 -0.208 0.701 0.00 0.00 -0.181 N ATOM 4 C LIG 1 1.752 -1.045 1.771 0.00 0.00 +0.219 A ATOM 5 N LIG 1 0.462 -1.267 1.795 0.00 0.00 -0.180 NA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 3.321 0.343 0.345 0.00 0.00 +0.158 A ATOM 7 N LIG 1 4.399 0.084 1.142 0.00 0.00 -0.236 NA ATOM 8 C LIG 1 5.582 0.626 0.776 0.00 0.00 +0.113 A ATOM 9 C LIG 1 5.752 1.424 -0.343 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.644 1.685 -1.140 0.00 0.00 +0.005 A ATOM 11 C LIG 1 3.409 1.140 -0.796 0.00 0.00 +0.048 A ENDBRANCH 3 6 BRANCH 4 12 ATOM 12 N LIG 1 2.660 -1.537 2.640 0.00 0.00 -0.327 N ATOM 13 H LIG 1 2.320 -1.847 3.543 0.00 0.00 +0.145 HD ATOM 14 H LIG 1 3.583 -1.098 2.658 0.00 0.00 +0.145 HD ENDBRANCH 4 12 BRANCH 1 15 ATOM 15 N LIG 1 -1.334 -0.669 0.493 0.00 0.00 -0.279 N ATOM 16 H LIG 1 -1.852 -1.236 1.159 0.00 0.00 +0.155 HD BRANCH 15 18 ATOM 17 C LIG 1 -3.577 -0.436 -0.408 0.00 0.00 +0.141 A ATOM 18 C LIG 1 -2.195 -0.133 -0.490 0.00 0.00 +0.076 A ATOM 19 C LIG 1 -1.752 0.682 -1.538 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -2.647 1.187 -2.483 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.002 0.883 -2.393 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -4.469 0.074 -1.357 0.00 0.00 +0.047 A BRANCH 17 24 ATOM 23 C LIG 1 -5.307 -1.584 0.772 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -3.932 -1.242 0.651 0.00 0.00 -0.493 OA ENDBRANCH 17 24 ENDBRANCH 15 18 ENDBRANCH 1 15 TORSDOF 5