REMARK Name = BDB053409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.159 -0.042 1.165 0.00 0.00 +0.121 C ATOM 2 C LIG 1 0.325 0.115 0.953 0.00 0.00 -0.021 A ATOM 3 C LIG 1 1.030 -0.703 1.842 0.00 0.00 -0.042 A ATOM 4 C LIG 1 2.415 -0.708 1.864 0.00 0.00 +0.012 A ATOM 5 C LIG 1 3.117 0.116 0.966 0.00 0.00 -0.017 A ATOM 6 C LIG 1 2.392 0.961 0.096 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.100 -1.459 2.741 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.994 0.970 0.091 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.239 -1.337 1.998 0.00 0.00 +0.034 C ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 -4.532 2.418 0.112 0.00 0.00 +0.044 A ATOM 11 N LIG 1 -3.474 1.726 0.602 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -3.006 0.799 -0.256 0.00 0.00 +0.161 A ATOM 13 C LIG 1 -3.479 0.503 -1.523 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -2.742 -0.505 -2.085 0.00 0.00 -0.230 NA ATOM 15 C LIG 1 -1.826 -0.839 -1.190 0.00 0.00 +0.115 A ATOM 16 C LIG 1 -4.572 1.231 -2.016 0.00 0.00 -0.020 A ATOM 17 C LIG 1 -5.174 1.010 -3.369 0.00 0.00 +0.046 C ATOM 18 N LIG 1 -1.944 -0.053 -0.055 0.00 0.00 -0.305 N ATOM 19 C LIG 1 -5.092 2.213 -1.155 0.00 0.00 +0.029 A BRANCH 15 20 ATOM 20 C LIG 1 -0.814 -1.932 -1.414 0.00 0.00 +0.049 C ATOM 21 C LIG 1 0.043 -1.620 -2.643 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -1.520 -3.279 -1.589 0.00 0.00 +0.015 C ENDBRANCH 15 20 BRANCH 10 24 ATOM 23 C LIG 1 -4.347 4.807 0.836 0.00 0.00 +0.010 C ATOM 24 C LIG 1 -5.095 3.494 1.009 0.00 0.00 +0.052 C ENDBRANCH 10 24 ENDBRANCH 1 18 BRANCH 5 25 ATOM 25 C LIG 1 4.588 0.090 0.924 0.00 0.00 -0.007 A ATOM 26 C LIG 1 5.332 -1.008 0.424 0.00 0.00 +0.028 A ATOM 27 C LIG 1 6.739 -0.955 0.482 0.00 0.00 +0.012 A ATOM 28 C LIG 1 7.405 0.158 0.995 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.677 1.241 1.467 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.284 1.206 1.434 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 C LIG 1 4.732 -2.214 -0.158 0.00 0.00 +0.180 A ATOM 32 N LIG 1 3.530 -2.286 -0.811 0.00 0.00 -0.239 N ATOM 33 H LIG 1 2.852 -1.561 -1.000 0.00 0.00 +0.192 HD ATOM 34 N LIG 1 3.295 -3.535 -1.231 0.00 0.00 -0.046 NA ATOM 35 N LIG 1 4.359 -4.227 -0.858 0.00 0.00 -0.023 NA ATOM 36 N LIG 1 5.262 -3.425 -0.205 0.00 0.00 -0.108 NA ENDBRANCH 26 31 ENDBRANCH 5 25 TORSDOF 5