REMARK Name = BDB058009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.399 1.186 0.751 0.00 0.00 -0.021 A ATOM 2 C LIG 1 3.191 -0.196 0.644 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.923 -0.702 0.344 0.00 0.00 +0.013 A ATOM 4 C LIG 1 0.839 0.168 0.172 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.038 1.549 0.282 0.00 0.00 +0.013 A ATOM 6 C LIG 1 2.310 2.051 0.578 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 8.033 -0.532 -1.559 0.00 0.00 +0.079 A ATOM 8 C LIG 1 7.395 0.313 -0.666 0.00 0.00 +0.152 A ATOM 9 O LIG 1 6.042 0.386 -0.415 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 5.875 1.366 0.555 0.00 0.00 +0.176 C ATOM 11 C LIG 1 7.181 1.963 0.930 0.00 0.00 +0.231 C ATOM 12 O LIG 1 7.418 2.852 1.717 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 4.709 1.752 1.091 0.00 0.00 +0.058 C ATOM 14 C LIG 1 8.127 1.219 0.105 0.00 0.00 +0.068 A ATOM 15 C LIG 1 9.502 1.327 0.037 0.00 0.00 +0.015 A ATOM 16 C LIG 1 10.162 0.478 -0.850 0.00 0.00 +0.002 A ATOM 17 C LIG 1 9.436 -0.441 -1.640 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 5.969 -1.535 -2.418 0.00 0.00 -0.325 N ATOM 19 H LIG 1 5.400 -0.883 -1.891 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 5.505 -2.174 -3.049 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 7.334 -1.514 -2.427 0.00 0.00 +0.245 C ATOM 22 O LIG 1 7.961 -2.282 -3.148 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -0.494 -0.420 -0.140 0.00 0.00 +0.244 C ATOM 24 N LIG 1 -1.595 0.308 0.268 0.00 0.00 -0.311 N ATOM 25 H LIG 1 -1.447 1.028 0.965 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 -0.565 -1.506 -0.702 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -2.929 -0.272 0.214 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 -3.981 0.774 -0.146 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -5.348 0.186 -0.132 0.00 0.00 +0.110 A ATOM 30 N LIG 1 -5.888 -0.469 -1.210 0.00 0.00 -0.342 N ATOM 31 H LIG 1 -5.436 -0.616 -2.101 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 -7.144 -0.903 -0.864 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -7.305 -0.496 0.460 0.00 0.00 +0.101 A ATOM 34 C LIG 1 -8.512 -0.805 1.115 0.00 0.00 +0.064 A ATOM 35 C LIG 1 -9.511 -1.505 0.412 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.312 -1.895 -0.915 0.00 0.00 +0.003 A ATOM 37 C LIG 1 -8.119 -1.601 -1.583 0.00 0.00 +0.028 A ATOM 38 N LIG 1 -6.188 0.193 0.880 0.00 0.00 -0.232 NA BRANCH 34 39 ATOM 39 C LIG 1 -8.717 -0.427 2.527 0.00 0.00 +0.244 C ATOM 40 O LIG 1 -7.859 -0.558 3.388 0.00 0.00 -0.270 OA ATOM 41 N LIG 1 -9.952 0.081 2.840 0.00 0.00 -0.325 N ATOM 42 H LIG 1 -10.562 0.454 2.124 0.00 0.00 +0.145 HD ATOM 43 H LIG 1 -10.032 0.472 3.770 0.00 0.00 +0.145 HD ENDBRANCH 34 39 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 4 23 TORSDOF 7