REMARK Name = BDB017457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.706 1.233 -2.217 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.729 1.838 -0.946 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.581 1.773 -0.148 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.409 1.147 -0.549 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.494 1.302 0.553 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.078 2.007 1.545 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.368 0.571 -1.832 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.320 2.254 1.103 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.948 2.768 1.708 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.513 0.625 -2.642 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.250 -1.672 0.411 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.707 -1.079 -0.738 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.477 -0.197 -1.481 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.225 0.594 -2.734 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.926 1.280 -3.108 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.538 1.298 -2.992 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.396 0.946 -1.966 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.345 1.281 -1.911 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.771 2.036 -3.934 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.392 0.048 -3.857 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.791 0.063 -1.069 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.361 -0.503 0.052 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.571 -1.381 0.800 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.869 -3.123 2.260 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.395 -2.518 1.064 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.868 0.816 0.677 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.226 -0.462 0.233 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -3.545 -0.913 0.352 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.533 -0.101 0.925 0.00 0.00 -0.044 A ATOM 30 C LIG 1 -4.169 1.176 1.377 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.851 1.626 1.258 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 C LIG 1 -5.958 -0.612 1.042 0.00 0.00 +0.021 C ATOM 33 C LIG 1 -6.478 -0.597 2.486 0.00 0.00 +0.023 C ATOM 34 C LIG 1 -7.882 -1.205 2.563 0.00 0.00 +0.081 C ATOM 35 N LIG 1 -8.721 -0.937 1.392 0.00 0.00 -0.316 NA ATOM 36 H LIG 1 -9.699 -0.887 1.676 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -8.331 0.279 0.693 0.00 0.00 +0.081 C ATOM 38 C LIG 1 -6.924 0.144 0.106 0.00 0.00 +0.023 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4