REMARK Name = BDB038868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.725 1.029 -0.330 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -2.722 0.052 -0.222 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -2.634 -1.305 0.001 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -1.766 -1.810 0.111 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -3.879 -1.884 0.042 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -4.808 -0.871 -0.189 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -6.178 -1.205 -0.208 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -6.565 -2.533 0.007 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.612 -3.522 0.235 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.248 -3.217 0.256 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -4.077 0.346 -0.370 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.449 1.669 -0.647 0.00 0.00 +0.045 A ATOM 13 CA LIG 1 -3.419 2.592 -0.773 0.00 0.00 +0.149 A ATOM 14 N LIG 1 -2.102 2.298 -0.629 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 2.496 0.255 0.121 0.00 0.00 -0.018 A ATOM 16 C LIG 1 1.999 0.973 -0.977 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.629 1.228 -1.113 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -0.295 0.764 -0.164 0.00 0.00 +0.002 A ATOM 19 C LIG 1 0.205 0.063 0.944 0.00 0.00 +0.011 A ATOM 20 C LIG 1 1.576 -0.190 1.082 0.00 0.00 +0.009 A BRANCH 15 25 ATOM 21 C LIG 1 8.180 -0.783 0.681 0.00 0.00 +0.044 C ATOM 22 C LIG 1 6.706 -0.540 0.548 0.00 0.00 -0.050 A ATOM 23 C LIG 1 6.034 -0.882 -0.630 0.00 0.00 +0.004 A ATOM 24 C LIG 1 4.666 -0.625 -0.766 0.00 0.00 +0.009 A ATOM 25 C LIG 1 3.936 -0.013 0.265 0.00 0.00 -0.018 A ATOM 26 C LIG 1 4.625 0.340 1.436 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.993 0.085 1.575 0.00 0.00 +0.004 A ENDBRANCH 15 25 ENDBRANCH 1 18 BRANCH 13 28 ATOM 28 C LIG 1 -3.782 4.006 -1.089 0.00 0.00 +0.355 C ATOM 29 O LIG 1 -4.916 4.434 -1.229 0.00 0.00 -0.243 OA BRANCH 28 30 ATOM 30 OXT LIG 1 -2.716 4.820 -1.221 0.00 0.00 -0.476 OA ATOM 31 HXT LIG 1 -3.095 5.699 -1.418 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 13 28 TORSDOF 4