REMARK Name = BDB039475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.050 -0.119 -0.016 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.085 -1.127 -0.919 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.297 -1.694 -1.077 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.479 -1.356 -0.419 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.497 -2.218 -0.928 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.922 -3.044 -1.871 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -3.426 -0.317 0.531 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -2.595 -2.724 -1.930 0.00 0.00 -0.329 N ATOM 9 C LIG 1 -2.168 0.291 0.715 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.920 0.912 0.308 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.194 2.063 0.583 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.620 3.166 0.867 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.776 1.707 0.466 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.692 0.346 0.197 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.455 -0.258 0.038 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.278 0.517 0.153 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.411 1.906 0.420 0.00 0.00 +0.011 A ATOM 18 C LIG 1 1.663 2.512 0.583 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.057 -0.252 0.140 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.886 -1.112 1.430 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.880 -0.459 1.172 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.974 -0.136 2.150 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.165 -0.549 3.054 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.659 0.216 1.945 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.825 0.032 2.828 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.351 0.822 0.565 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.086 0.019 -0.504 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.580 0.048 -0.220 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -1.627 -3.365 -2.845 0.00 0.00 +0.089 C ATOM 30 C LIG 1 -0.432 -4.132 -2.330 0.00 0.00 +0.027 C ATOM 31 C LIG 1 -1.541 -4.864 -3.023 0.00 0.00 +0.027 C ENDBRANCH 8 29 BRANCH 7 32 ATOM 32 C LIG 1 -4.615 0.162 1.333 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 -4.936 1.569 1.079 0.00 0.00 -0.296 NA ATOM 34 C LIG 1 -5.973 2.074 1.991 0.00 0.00 +0.116 C ATOM 35 C LIG 1 -6.648 3.227 1.234 0.00 0.00 +0.130 C ATOM 36 C LIG 1 -6.007 3.224 -0.148 0.00 0.00 +0.048 C ATOM 37 C LIG 1 -5.434 1.822 -0.274 0.00 0.00 +0.087 C BRANCH 35 38 ATOM 38 O LIG 1 -8.053 3.006 1.119 0.00 0.00 -0.390 OA ATOM 39 H LIG 1 -8.189 2.173 0.637 0.00 0.00 +0.210 HD ENDBRANCH 35 38 ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6