REMARK Name = BDB059672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.630 0.787 -0.412 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -3.061 0.800 0.077 0.00 0.00 +0.279 A ATOM 3 O LIG 1 -3.866 1.693 -0.152 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -3.435 -0.320 0.839 0.00 0.00 -0.179 N ATOM 5 C LIG 1 -2.604 -1.378 1.137 0.00 0.00 +0.156 A ATOM 6 C LIG 1 -3.340 -2.257 1.891 0.00 0.00 +0.114 A ATOM 7 C LIG 1 -4.607 -1.658 2.004 0.00 0.00 +0.156 A ATOM 8 N LIG 1 -1.340 -1.344 0.665 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -0.674 -2.102 0.824 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 -4.680 -0.483 1.371 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 -0.855 -0.288 -0.103 0.00 0.00 +0.060 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 0.504 -0.415 -0.533 0.00 0.00 +0.036 A ATOM 13 C LIG 1 1.610 -0.451 0.286 0.00 0.00 +0.118 A ATOM 14 N LIG 1 2.688 -0.598 -0.545 0.00 0.00 -0.268 N ATOM 15 N LIG 1 2.345 -0.685 -1.846 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 1.014 -0.578 -1.836 0.00 0.00 +0.144 A BRANCH 14 17 ATOM 17 C LIG 1 4.097 -0.673 -0.167 0.00 0.00 +0.101 C ATOM 18 C LIG 1 4.378 -1.892 0.709 0.00 0.00 +0.032 C ATOM 19 C LIG 1 4.564 0.618 0.504 0.00 0.00 +0.032 C ENDBRANCH 14 17 ENDBRANCH 11 12 BRANCH 1 21 ATOM 20 C LIG 1 -1.259 3.307 -0.394 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -1.169 2.008 -1.202 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -1.891 2.136 -2.546 0.00 0.00 +0.012 C ENDBRANCH 1 21 BRANCH 6 23 ATOM 23 C LIG 1 -2.909 -3.496 2.437 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -2.542 -4.504 2.879 0.00 0.00 -0.191 NA ENDBRANCH 6 23 TORSDOF 4