REMARK Name = BDB003430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.851 -1.416 -1.014 0.00 0.00 +0.157 C ATOM 2 N LIG 1 -4.502 -0.978 -0.715 0.00 0.00 -0.262 N ATOM 3 C LIG 1 -4.381 0.257 -0.040 0.00 0.00 +0.333 A ATOM 4 O LIG 1 -5.381 0.911 0.270 0.00 0.00 -0.246 OA ATOM 5 N LIG 1 -3.089 0.698 0.258 0.00 0.00 -0.280 N ATOM 6 C LIG 1 -2.880 1.956 0.951 0.00 0.00 +0.155 C ATOM 7 C LIG 1 -2.014 -0.074 -0.112 0.00 0.00 +0.169 A ATOM 8 C LIG 1 -2.179 -1.257 -0.761 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -0.919 -1.737 -0.964 0.00 0.00 -0.327 N ATOM 10 H LIG 1 -0.659 -2.601 -1.421 0.00 0.00 +0.168 HD ATOM 11 C LIG 1 -0.064 -0.815 -0.425 0.00 0.00 +0.169 A ATOM 12 N LIG 1 -0.698 0.209 0.102 0.00 0.00 -0.204 NA ATOM 13 C LIG 1 -3.442 -1.796 -1.111 0.00 0.00 +0.282 A ATOM 14 O LIG 1 -3.556 -2.867 -1.697 0.00 0.00 -0.265 OA ENDROOT BRANCH 11 15 ATOM 15 S LIG 1 1.635 -1.083 -0.493 0.00 0.00 -0.083 S BRANCH 15 16 ATOM 16 C LIG 1 2.233 0.415 0.346 0.00 0.00 +0.112 C BRANCH 16 17 ATOM 17 C LIG 1 3.740 0.436 0.426 0.00 0.00 -0.037 A ATOM 18 C LIG 1 4.404 -0.141 1.519 0.00 0.00 +0.004 A ATOM 19 C LIG 1 5.798 -0.131 1.586 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.542 0.450 0.561 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.894 1.019 -0.534 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.500 1.010 -0.603 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 11 15 TORSDOF 3