REMARK Name = BDB035219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -8.118 -1.171 -0.221 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -6.621 -1.122 -0.001 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -5.933 0.068 0.080 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -4.537 0.067 0.232 0.00 0.00 +0.263 A ATOM 5 O LIG 1 -3.876 1.101 0.148 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -3.859 -1.238 0.460 0.00 0.00 +0.068 A ATOM 7 C LIG 1 -4.691 -2.359 0.395 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -4.159 -3.632 0.608 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.810 -3.795 0.894 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.977 -2.680 0.960 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -2.469 -1.381 0.731 0.00 0.00 -0.033 A ATOM 12 N LIG 1 -6.058 -2.278 0.131 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -6.537 1.396 -0.148 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -7.678 1.732 0.816 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -7.848 1.175 1.897 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -8.516 2.748 0.415 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -9.284 2.955 1.040 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -8.573 3.354 -0.815 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -9.489 4.120 -1.099 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -7.433 3.068 -1.766 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -6.911 1.648 -1.609 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 C LIG 1 -1.548 -0.174 0.810 0.00 0.00 +0.036 C BRANCH 22 23 ATOM 23 C LIG 1 -0.041 -0.384 1.036 0.00 0.00 +0.005 C BRANCH 23 24 ATOM 24 C LIG 1 0.688 -0.867 -0.225 0.00 0.00 +0.000 C BRANCH 24 25 ATOM 25 C LIG 1 2.153 -1.241 0.025 0.00 0.00 +0.000 C BRANCH 25 26 ATOM 26 C LIG 1 3.027 -0.048 0.423 0.00 0.00 +0.000 C BRANCH 26 27 ATOM 27 C LIG 1 4.492 -0.422 0.675 0.00 0.00 +0.001 C BRANCH 27 28 ATOM 28 C LIG 1 5.232 -0.870 -0.589 0.00 0.00 +0.015 C BRANCH 28 29 ATOM 29 C LIG 1 6.726 -1.155 -0.365 0.00 0.00 +0.084 C BRANCH 29 30 ATOM 30 N LIG 1 7.611 -0.020 -0.653 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 9.030 -0.451 -0.709 0.00 0.00 +0.116 C ATOM 32 C LIG 1 9.974 0.768 -0.641 0.00 0.00 +0.135 C ATOM 33 O LIG 1 9.878 1.377 0.711 0.00 0.00 -0.371 OA ATOM 34 C LIG 1 8.675 2.069 0.182 0.00 0.00 +0.135 C ATOM 35 C LIG 1 9.381 2.089 -1.199 0.00 0.00 +0.065 C ATOM 36 C LIG 1 7.460 1.119 0.279 0.00 0.00 +0.116 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 10