REMARK Name = BDB038997 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.596 2.225 0.503 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.909 1.091 0.108 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.474 1.060 0.369 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.735 -0.078 -0.288 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.406 -1.063 -1.048 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.695 -2.106 -1.657 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.310 -2.228 -1.513 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.653 -1.258 -0.748 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.665 -1.062 -0.380 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.721 0.097 0.375 0.00 0.00 +0.200 A ATOM 11 N LIG 1 0.476 0.599 0.554 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.897 -0.959 -1.252 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.337 -0.205 -0.145 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.568 -0.189 -0.118 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.056 3.245 0.914 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.890 0.580 0.882 0.00 0.00 -0.298 N ATOM 17 C LIG 1 -1.760 1.308 2.173 0.00 0.00 +0.125 C ATOM 18 C LIG 1 -1.329 2.779 1.999 0.00 0.00 +0.128 C ATOM 19 N LIG 1 -2.276 3.493 1.068 0.00 0.00 -0.178 NA ATOM 20 C LIG 1 -2.281 2.788 -0.258 0.00 0.00 +0.128 C ATOM 21 C LIG 1 -2.741 1.327 -0.077 0.00 0.00 +0.125 C BRANCH 19 22 ATOM 22 S LIG 1 -2.008 5.172 0.997 0.00 0.00 +0.029 S ATOM 23 O LIG 1 -1.896 5.660 2.356 0.00 0.00 -0.158 OA ATOM 24 O LIG 1 -0.977 5.425 0.016 0.00 0.00 -0.158 OA ATOM 25 C LIG 1 -3.560 5.760 0.354 0.00 0.00 +0.215 C ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.686 3.246 0.774 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.946 2.089 0.384 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.793 -1.960 -0.639 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -2.095 -2.074 -2.138 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.595 -3.323 0.053 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.863 -4.141 0.131 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.071 -5.223 -0.734 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.251 -5.965 -0.666 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.232 -5.634 0.266 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.035 -4.561 1.133 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.856 -3.817 1.067 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 6