REMARK Name = BDB027143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.643 0.399 -0.586 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.227 1.110 0.337 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.705 -0.320 -1.462 0.00 0.00 +0.044 A ATOM 4 C LIG 1 0.726 -0.368 -1.344 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.210 -1.158 -2.387 0.00 0.00 +0.048 A ATOM 6 C LIG 1 2.574 -1.420 -2.574 0.00 0.00 +0.039 A ATOM 7 C LIG 1 3.486 -0.867 -1.662 0.00 0.00 +0.039 A ATOM 8 C LIG 1 3.032 -0.057 -0.616 0.00 0.00 +0.014 A ATOM 9 N LIG 1 0.126 -1.570 -3.122 0.00 0.00 -0.360 N ATOM 10 H LIG 1 0.182 -2.147 -3.951 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 1.662 0.192 -0.448 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -1.030 -1.080 -2.573 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 4.934 -1.156 -1.877 0.00 0.00 +0.244 C ATOM 14 N LIG 1 5.754 -1.081 -0.777 0.00 0.00 -0.310 N ATOM 15 H LIG 1 5.412 -0.789 0.130 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 5.341 -1.464 -2.993 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 7.194 -1.211 -0.881 0.00 0.00 +0.120 C BRANCH 17 18 ATOM 18 C LIG 1 7.838 -1.372 0.507 0.00 0.00 +0.103 C BRANCH 18 19 ATOM 19 N LIG 1 7.345 -0.384 1.484 0.00 0.00 -0.301 NA ATOM 20 C LIG 1 7.870 -0.642 2.827 0.00 0.00 +0.084 C ATOM 21 C LIG 1 7.562 0.650 3.567 0.00 0.00 +0.017 C ATOM 22 C LIG 1 7.527 1.726 2.486 0.00 0.00 +0.017 C ATOM 23 C LIG 1 7.769 0.987 1.178 0.00 0.00 +0.084 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -3.169 0.255 -0.843 0.00 0.00 +0.156 C BRANCH 24 25 ATOM 25 C LIG 1 -3.643 1.129 -1.997 0.00 0.00 -0.023 A ATOM 26 C LIG 1 -3.165 2.437 -2.185 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -3.627 3.216 -3.248 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.582 2.708 -4.126 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.084 1.422 -3.938 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.623 0.640 -2.878 0.00 0.00 +0.005 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 N LIG 1 -3.952 0.601 0.371 0.00 0.00 -0.303 NA ATOM 32 H LIG 1 -3.568 1.477 0.736 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.860 -0.431 1.411 0.00 0.00 +0.086 C BRANCH 33 34 ATOM 34 C LIG 1 -4.744 -0.094 2.623 0.00 0.00 +0.050 C BRANCH 34 38 ATOM 35 C LIG 1 -8.948 -0.809 1.913 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -8.346 0.360 1.441 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -6.989 0.592 1.675 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.217 -0.340 2.383 0.00 0.00 -0.046 A ATOM 39 C LIG 1 -6.827 -1.512 2.851 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -8.186 -1.744 2.619 0.00 0.00 +0.019 A BRANCH 35 42 ATOM 41 N LIG 1 -11.467 -1.251 1.477 0.00 0.00 -0.191 NA ATOM 42 C LIG 1 -10.340 -1.051 1.672 0.00 0.00 +0.099 C ENDBRANCH 35 42 ENDBRANCH 34 38 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 12