REMARK Name = BDB038894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.065 3.102 -3.173 0.00 0.00 +0.044 C ATOM 2 C LIG 1 5.603 1.818 -2.545 0.00 0.00 -0.048 A ATOM 3 C LIG 1 4.293 1.711 -2.054 0.00 0.00 +0.029 A ATOM 4 C LIG 1 3.913 0.506 -1.449 0.00 0.00 +0.048 A ATOM 5 N LIG 1 2.708 0.132 -0.905 0.00 0.00 -0.352 N ATOM 6 H LIG 1 1.884 0.716 -0.888 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 2.769 -1.149 -0.399 0.00 0.00 +0.074 A ATOM 8 C LIG 1 4.055 -1.624 -0.659 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.381 -2.930 -0.270 0.00 0.00 +0.045 A ATOM 10 CA LIG 1 3.368 -3.652 0.341 0.00 0.00 +0.149 A ATOM 11 N LIG 1 2.107 -3.195 0.595 0.00 0.00 -0.238 NA ATOM 12 C LIG 1 1.794 -1.923 0.240 0.00 0.00 +0.096 A ATOM 13 C LIG 1 4.779 -0.575 -1.309 0.00 0.00 +0.008 A ATOM 14 C LIG 1 6.096 -0.448 -1.795 0.00 0.00 +0.011 A ATOM 15 C LIG 1 6.494 0.750 -2.401 0.00 0.00 +0.004 A ENDROOT BRANCH 12 16 ATOM 16 C LIG 1 0.448 -1.445 0.539 0.00 0.00 +0.003 A ATOM 17 C LIG 1 0.238 -0.295 1.319 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -1.054 0.169 1.580 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -2.159 -0.517 1.078 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -1.971 -1.660 0.299 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -0.677 -2.125 0.043 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 N LIG 1 -3.465 0.040 1.319 0.00 0.00 -0.206 N ATOM 23 C LIG 1 -4.442 -0.900 1.920 0.00 0.00 +0.157 C BRANCH 22 24 ATOM 24 S LIG 1 -4.056 0.930 -0.034 0.00 0.00 +0.074 S ATOM 25 O LIG 1 -3.048 1.884 -0.452 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -4.627 -0.016 -0.974 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.385 1.868 0.682 0.00 0.00 +0.109 A ATOM 28 C LIG 1 -6.709 1.605 0.317 0.00 0.00 +0.029 A ATOM 29 C LIG 1 -7.737 2.353 0.890 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -7.440 3.359 1.813 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.115 3.624 2.165 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -5.081 2.880 1.598 0.00 0.00 +0.029 A ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 12 16 BRANCH 10 33 ATOM 33 C LIG 1 3.620 -5.055 0.783 0.00 0.00 +0.355 C ATOM 34 O LIG 1 4.668 -5.659 0.645 0.00 0.00 -0.243 OA BRANCH 33 35 ATOM 35 OXT LIG 1 2.509 -5.568 1.368 0.00 0.00 -0.476 OA ATOM 36 HXT LIG 1 1.805 -4.875 1.359 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 10 33 TORSDOF 6