REMARK Name = BDB031829 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.001 -2.530 0.372 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.837 -1.768 -0.800 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.610 -1.131 -1.021 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.466 -1.226 -0.150 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.503 -0.437 -0.745 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.089 0.102 -1.897 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.317 -2.005 1.012 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.173 -0.328 -2.034 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.691 -0.033 -2.853 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.909 -2.646 1.250 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.433 1.386 1.150 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.982 0.067 1.313 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.766 -0.984 0.862 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.603 -2.478 0.877 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.309 -3.235 0.649 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.883 -2.992 0.260 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.643 -1.886 -0.081 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.553 -1.962 -0.506 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.169 -4.166 0.099 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.944 -3.187 2.025 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.004 -0.696 0.271 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.482 0.586 0.096 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.677 1.638 0.543 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.950 3.697 1.462 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.571 2.337 1.627 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.715 -0.304 -0.156 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -2.874 -0.778 0.730 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.890 0.397 -0.520 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -5.004 0.328 0.346 0.00 0.00 +0.143 A ATOM 30 C LIG 1 -6.188 1.004 0.030 0.00 0.00 +0.075 A ATOM 31 C LIG 1 -6.307 1.756 -1.129 0.00 0.00 +0.075 A ATOM 32 C LIG 1 -5.201 1.830 -1.998 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.333 2.592 -3.166 0.00 0.00 +0.011 A ATOM 34 C LIG 1 -6.529 3.244 -3.436 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -7.557 3.112 -2.522 0.00 0.00 +0.111 A ATOM 36 N LIG 1 -7.468 2.386 -1.385 0.00 0.00 -0.255 NA ATOM 37 C LIG 1 -4.008 1.154 -1.688 0.00 0.00 +0.037 A BRANCH 29 38 ATOM 38 O LIG 1 -4.811 -0.438 1.477 0.00 0.00 -0.493 OA ATOM 39 C LIG 1 -5.907 -0.541 2.379 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5