REMARK Name = BDB035241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 9.447 0.803 1.228 0.00 0.00 +0.086 C ATOM 2 C LIG 1 7.939 0.757 1.368 0.00 0.00 +0.111 A ATOM 3 N LIG 1 7.127 0.292 0.355 0.00 0.00 -0.284 N ATOM 4 C LIG 1 5.731 0.383 0.480 0.00 0.00 +0.264 A ATOM 5 O LIG 1 4.981 0.265 -0.488 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 5.186 0.705 1.819 0.00 0.00 +0.080 A ATOM 7 C LIG 1 6.122 1.096 2.777 0.00 0.00 +0.079 A ATOM 8 C LIG 1 5.696 1.441 4.064 0.00 0.00 +0.028 A ATOM 9 C LIG 1 4.347 1.393 4.405 0.00 0.00 +0.003 A ATOM 10 C LIG 1 3.413 0.994 3.452 0.00 0.00 +0.018 A ATOM 11 C LIG 1 3.821 0.648 2.155 0.00 0.00 +0.039 A ATOM 12 N LIG 1 7.490 1.157 2.514 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 7.604 -0.090 -0.990 0.00 0.00 +0.178 C ATOM 14 C LIG 1 8.653 -1.205 -0.978 0.00 0.00 +0.242 C ATOM 15 O LIG 1 8.796 -2.002 -0.052 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 9.432 -1.304 -2.110 0.00 0.00 -0.255 N ATOM 17 H LIG 1 10.135 -2.031 -2.098 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 9.487 -0.441 -3.176 0.00 0.00 +0.219 C ATOM 19 O LIG 1 10.331 -0.580 -4.057 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 8.431 0.637 -3.232 0.00 0.00 +0.099 C ATOM 21 C LIG 1 8.027 1.108 -1.843 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 C LIG 1 2.793 0.229 1.248 0.00 0.00 -0.064 C ATOM 23 C LIG 1 1.902 -0.124 0.522 0.00 0.00 -0.081 C BRANCH 23 24 ATOM 24 C LIG 1 0.809 -0.558 -0.359 0.00 0.00 +0.174 C BRANCH 24 25 ATOM 25 N LIG 1 -0.269 -1.197 0.406 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -1.031 -0.244 1.240 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -2.429 0.133 0.695 0.00 0.00 +0.100 C ATOM 28 N LIG 1 -3.314 -1.013 0.400 0.00 0.00 -0.300 NA ATOM 29 C LIG 1 -2.529 -2.243 0.154 0.00 0.00 +0.100 C ATOM 30 C LIG 1 -1.162 -1.951 -0.497 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 31 C LIG 1 -4.324 -1.255 1.436 0.00 0.00 +0.085 C BRANCH 31 32 ATOM 32 C LIG 1 -5.456 -0.213 1.517 0.00 0.00 +0.022 C BRANCH 32 33 ATOM 33 C LIG 1 -6.383 -0.027 0.283 0.00 0.00 -0.027 C ATOM 34 C LIG 1 -6.887 -1.376 -0.288 0.00 0.00 +0.010 C ATOM 35 C LIG 1 -7.865 -1.146 -1.457 0.00 0.00 -0.010 C ATOM 36 C LIG 1 -9.072 -0.333 -0.964 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -8.602 1.027 -0.424 0.00 0.00 -0.010 C ATOM 38 C LIG 1 -7.882 1.800 -1.539 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -6.670 0.995 -2.033 0.00 0.00 -0.010 C ATOM 40 C LIG 1 -7.148 -0.364 -2.570 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -7.625 0.796 0.740 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -5.696 0.763 -0.862 0.00 0.00 +0.010 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 11 22 TORSDOF 7