REMARK Name = BDB010448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.567 0.397 -0.675 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.382 -0.307 -0.886 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.435 -1.655 -1.211 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.800 -2.185 -1.412 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.639 -1.215 -1.141 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.566 -2.367 -1.331 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 2.656 -1.626 -1.077 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -0.971 -0.044 -0.828 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.707 -0.319 -0.755 0.00 0.00 -0.206 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.002 -1.272 -1.183 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.646 -2.427 -0.455 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -3.894 -3.606 -1.428 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -4.828 -3.275 -2.478 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -4.861 -1.873 -2.778 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -3.502 -1.184 -2.594 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -2.990 -2.797 0.871 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -3.387 -2.143 2.050 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.804 -2.457 3.280 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -1.814 -3.432 3.352 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -1.407 -4.093 2.196 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.991 -3.780 0.967 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 C LIG 1 3.972 -2.358 -1.173 0.00 0.00 +0.300 C ATOM 23 N LIG 1 3.826 -3.724 -1.490 0.00 0.00 -0.184 N ATOM 24 H LIG 1 2.883 -4.099 -1.612 0.00 0.00 +0.177 HD ATOM 25 O LIG 1 5.057 -1.840 -0.961 0.00 0.00 -0.265 OA BRANCH 23 26 ATOM 26 S LIG 1 5.047 -4.757 -1.880 0.00 0.00 +0.043 S ATOM 27 O LIG 1 5.859 -4.160 -2.916 0.00 0.00 -0.155 OA ATOM 28 O LIG 1 4.409 -6.040 -2.091 0.00 0.00 -0.155 OA ATOM 29 C LIG 1 5.988 -4.870 -0.372 0.00 0.00 +0.218 C ENDBRANCH 23 26 ENDBRANCH 7 22 BRANCH 1 30 ATOM 30 N LIG 1 1.620 1.755 -0.386 0.00 0.00 -0.324 N ATOM 31 H LIG 1 0.968 2.292 -0.942 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 2.773 3.651 0.564 0.00 0.00 +0.028 C ATOM 33 C LIG 1 2.941 2.397 -0.298 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 3.496 2.704 -1.696 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.789 3.734 -2.623 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.183 4.054 -3.203 0.00 0.00 +0.001 C ATOM 37 C LIG 1 4.776 3.572 -1.862 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 -1.624 1.213 -0.514 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -2.227 1.312 0.900 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -3.084 2.593 0.994 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -3.239 3.062 2.435 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.882 3.462 3.038 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -1.944 3.395 4.565 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -0.720 2.618 2.483 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -1.179 1.236 2.028 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 9