REMARK Name = BDB008107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.664 -2.016 -1.812 0.00 0.00 +0.215 C ATOM 2 N LIG 1 -1.988 -1.628 -1.909 0.00 0.00 -0.304 N ATOM 3 H LIG 1 -2.237 -1.195 -2.791 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.069 -2.146 -0.748 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -0.018 -2.256 -3.161 0.00 0.00 +0.114 C BRANCH 5 6 ATOM 6 C LIG 1 1.408 -2.774 -3.033 0.00 0.00 +0.113 C BRANCH 6 8 ATOM 7 C LIG 1 3.687 -1.929 -2.618 0.00 0.00 +0.225 C ATOM 8 N LIG 1 2.311 -1.778 -2.486 0.00 0.00 -0.314 N ATOM 9 H LIG 1 2.002 -1.340 -1.619 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 4.178 -2.815 -3.314 0.00 0.00 -0.275 OA BRANCH 7 11 ATOM 11 C LIG 1 4.498 -0.879 -1.827 0.00 0.00 +0.135 C BRANCH 11 15 ATOM 12 C LIG 1 4.217 -1.329 2.496 0.00 0.00 +0.121 A ATOM 13 C LIG 1 4.280 -0.065 1.913 0.00 0.00 +0.046 A ATOM 14 C LIG 1 4.369 0.067 0.522 0.00 0.00 +0.008 A ATOM 15 C LIG 1 4.396 -1.062 -0.312 0.00 0.00 -0.031 A ATOM 16 C LIG 1 4.359 -2.329 0.285 0.00 0.00 +0.008 A ATOM 17 C LIG 1 4.267 -2.456 1.674 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 4.133 -1.600 3.833 0.00 0.00 -0.492 OA BRANCH 18 20 ATOM 19 C LIG 1 5.081 0.096 5.279 0.00 0.00 +0.048 C ATOM 20 C LIG 1 3.815 -0.534 4.725 0.00 0.00 +0.225 C ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 11 15 BRANCH 11 21 ATOM 21 C LIG 1 5.944 -0.723 -2.293 0.00 0.00 -0.031 A ATOM 22 C LIG 1 6.853 -1.791 -2.248 0.00 0.00 +0.005 A ATOM 23 C LIG 1 8.176 -1.622 -2.662 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.612 -0.382 -3.121 0.00 0.00 +0.000 A ATOM 25 C LIG 1 7.725 0.691 -3.168 0.00 0.00 +0.000 A ATOM 26 C LIG 1 6.401 0.523 -2.756 0.00 0.00 +0.005 A ENDBRANCH 11 21 ENDBRANCH 7 11 ENDBRANCH 6 8 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 27 ATOM 27 C LIG 1 -2.727 -1.111 -0.744 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C LIG 1 -2.275 0.353 -0.491 0.00 0.00 +0.234 C ATOM 29 N LIG 1 -2.858 0.975 0.589 0.00 0.00 -0.310 N ATOM 30 H LIG 1 -3.650 0.537 1.042 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 -1.509 0.944 -1.255 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 -2.637 2.371 0.884 0.00 0.00 +0.139 C BRANCH 32 33 ATOM 33 C LIG 1 -3.786 3.208 0.385 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -4.870 3.507 1.221 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.939 4.272 0.748 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.947 4.747 -0.570 0.00 0.00 -0.034 A ATOM 37 C LIG 1 -4.876 4.424 -1.414 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -3.805 3.662 -0.940 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -7.110 5.555 -1.087 0.00 0.00 +0.113 C BRANCH 39 40 ATOM 40 N LIG 1 -8.130 4.696 -1.679 0.00 0.00 -0.326 NA ATOM 41 H LIG 1 -7.703 4.151 -2.426 0.00 0.00 +0.119 HD ATOM 42 H LIG 1 -8.424 4.014 -0.980 0.00 0.00 +0.119 HD ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 27 28 BRANCH 27 43 ATOM 43 C LIG 1 -2.639 -2.030 0.492 0.00 0.00 +0.067 C BRANCH 43 44 ATOM 44 C LIG 1 -3.825 -1.941 1.431 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -3.643 -1.539 2.762 0.00 0.00 +0.004 A ATOM 46 C LIG 1 -4.731 -1.440 3.629 0.00 0.00 +0.000 A ATOM 47 C LIG 1 -6.012 -1.752 3.179 0.00 0.00 +0.000 A ATOM 48 C LIG 1 -6.204 -2.172 1.864 0.00 0.00 +0.000 A ATOM 49 C LIG 1 -5.116 -2.272 0.995 0.00 0.00 +0.004 A ENDBRANCH 43 44 ENDBRANCH 27 43 ENDBRANCH 2 27 TORSDOF 16