REMARK Name = BDB024739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.115 -0.686 -0.903 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.270 0.202 -0.214 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.825 1.484 0.267 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.730 2.565 -0.816 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.203 1.913 1.592 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.705 2.060 1.454 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.095 0.852 0.802 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.711 0.609 0.972 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.203 1.351 1.675 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.367 0.749 1.522 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -1.219 -0.417 0.790 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.100 -0.489 0.383 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.817 -1.371 -0.423 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.186 -1.118 -0.602 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.854 -0.035 -0.006 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.840 -1.820 -1.280 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.279 -1.383 0.496 0.00 0.00 +0.110 C ATOM 18 C LIG 1 -2.666 -1.355 -0.978 0.00 0.00 +0.191 C ATOM 19 S LIG 1 -4.086 -2.385 -1.262 0.00 0.00 -0.029 S ATOM 20 O LIG 1 -5.184 -1.886 -0.457 0.00 0.00 -0.174 OA ATOM 21 O LIG 1 -4.231 -2.566 -2.692 0.00 0.00 -0.174 OA ATOM 22 C LIG 1 -3.564 -3.938 -0.568 0.00 0.00 +0.166 C ATOM 23 C LIG 1 -3.108 -3.776 0.873 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -1.938 -2.799 1.008 0.00 0.00 +0.028 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.262 -1.012 -1.820 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.357 -0.153 -1.125 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.667 1.291 2.044 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.564 1.826 0.950 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -3.120 2.860 0.110 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.934 3.341 -0.916 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.202 2.799 -1.112 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.660 1.782 -0.277 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.849 1.303 0.754 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4