REMARK Name = BDB027039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.201 1.932 1.336 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -2.025 2.469 2.088 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.914 -0.061 0.849 0.00 0.00 +0.032 A ATOM 4 C LIG 1 3.375 -0.049 2.144 0.00 0.00 +0.049 A ATOM 5 C LIG 1 2.080 0.453 2.352 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.272 0.935 1.319 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.027 1.354 1.911 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.154 1.130 3.274 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.823 0.914 0.021 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.379 0.587 3.524 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.732 0.328 4.436 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.122 0.418 -0.195 0.00 0.00 +0.024 A BRANCH 3 17 ATOM 13 C LIG 1 8.255 -2.421 -1.453 0.00 0.00 +0.105 C ATOM 14 N LIG 1 6.830 -2.357 -1.139 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 6.604 -2.605 0.305 0.00 0.00 +0.103 C ATOM 16 C LIG 1 5.264 -2.041 0.827 0.00 0.00 +0.120 C ATOM 17 N LIG 1 5.212 -0.565 0.669 0.00 0.00 -0.327 N ATOM 18 C LIG 1 6.042 -0.035 -0.434 0.00 0.00 +0.120 C ATOM 19 C LIG 1 6.229 -1.071 -1.564 0.00 0.00 +0.103 C ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -1.448 1.919 -0.194 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -1.489 0.548 -0.857 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -1.224 0.452 -2.236 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.254 -0.780 -2.890 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.560 -1.937 -2.178 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.840 -1.861 -0.816 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.809 -0.627 -0.159 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -2.593 2.809 -0.562 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -2.648 3.533 0.160 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.918 2.187 -0.686 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -4.562 1.698 0.619 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.939 1.122 0.375 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.082 -0.192 -0.092 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.352 -0.723 -0.333 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -8.491 0.057 -0.113 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -8.354 1.371 0.347 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -7.084 1.901 0.588 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -9.793 -0.488 -0.357 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -10.847 -0.934 -0.554 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 9