REMARK Name = BDB038521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.692 1.852 -1.265 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -2.357 1.836 -1.097 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.731 0.643 -0.953 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -2.432 -0.555 -0.972 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -3.811 -0.536 -1.185 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -4.441 0.691 -1.355 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.334 0.683 -0.782 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.545 -0.387 -0.695 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.348 -1.587 -0.751 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.887 0.187 -0.524 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.775 1.574 -0.527 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.898 2.366 -0.378 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.136 1.731 -0.227 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.250 0.320 -0.231 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.098 -0.466 -0.378 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.346 1.966 -0.704 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.606 -0.331 -0.053 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.064 -0.177 1.329 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.303 -0.470 1.942 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.239 -1.013 1.631 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 C LIG 1 8.524 -0.609 0.875 0.00 0.00 +0.078 C ATOM 22 C LIG 1 9.015 0.857 1.086 0.00 0.00 +0.036 C ATOM 23 C LIG 1 9.913 0.349 2.227 0.00 0.00 +0.006 C ATOM 24 C LIG 1 9.831 -1.054 1.604 0.00 0.00 +0.036 C BRANCH 21 25 ATOM 25 O LIG 1 8.449 -1.048 -0.505 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 9.258 -0.713 -0.927 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 27 ATOM 27 C LIG 1 -4.585 -1.779 -1.215 0.00 0.00 +0.079 A ATOM 28 N LIG 1 -4.351 -2.808 -2.104 0.00 0.00 -0.266 N ATOM 29 C LIG 1 -3.369 -2.855 -3.166 0.00 0.00 +0.173 C ATOM 30 N LIG 1 -5.175 -3.863 -1.942 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 -5.964 -3.494 -0.935 0.00 0.00 +0.146 A ATOM 32 C LIG 1 -5.657 -2.212 -0.444 0.00 0.00 +0.064 A BRANCH 32 33 ATOM 33 C LIG 1 -6.341 -1.421 0.719 0.00 0.00 +0.167 A ATOM 34 N LIG 1 -7.387 -1.811 1.517 0.00 0.00 -0.316 N ATOM 35 C LIG 1 -8.108 -3.053 1.507 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -7.634 -0.772 2.363 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -6.799 0.206 2.116 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -5.981 -0.206 1.093 0.00 0.00 -0.129 NA ENDBRANCH 32 33 ENDBRANCH 5 27 BRANCH 1 39 ATOM 39 N LIG 1 -4.275 3.121 -1.364 0.00 0.00 -0.329 N ATOM 40 H LIG 1 -3.490 3.759 -1.240 0.00 0.00 +0.147 HD BRANCH 39 42 ATOM 41 C LIG 1 -5.752 4.806 -0.415 0.00 0.00 +0.024 C ATOM 42 C LIG 1 -5.311 3.352 -0.355 0.00 0.00 +0.099 C ENDBRANCH 39 42 ENDBRANCH 1 39 TORSDOF 10