REMARK Name = BDB007478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.651 3.210 0.634 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.947 2.712 0.369 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -3.147 3.626 0.347 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -2.096 1.343 0.062 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.987 0.483 0.021 0.00 0.00 +0.022 A ATOM 6 C LIG 1 0.300 0.960 0.281 0.00 0.00 -0.015 A ATOM 7 C LIG 1 0.443 2.323 0.586 0.00 0.00 +0.032 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 1.469 0.067 0.226 0.00 0.00 -0.018 A ATOM 9 C LIG 1 2.586 0.388 -0.561 0.00 0.00 +0.009 A ATOM 10 C LIG 1 3.698 -0.460 -0.619 0.00 0.00 +0.005 A ATOM 11 C LIG 1 3.719 -1.657 0.106 0.00 0.00 -0.033 A ATOM 12 C LIG 1 2.612 -1.979 0.901 0.00 0.00 +0.005 A ATOM 13 C LIG 1 1.502 -1.131 0.957 0.00 0.00 +0.009 A BRANCH 11 14 ATOM 14 C LIG 1 4.931 -2.564 0.060 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 4.602 -3.964 -0.251 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 4.151 -4.155 -1.648 0.00 0.00 +0.113 C ATOM 17 C LIG 1 5.250 -4.693 -2.579 0.00 0.00 +0.175 C ATOM 18 O LIG 1 5.787 -5.954 -2.154 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 5.693 -6.156 -0.737 0.00 0.00 +0.175 C ATOM 20 C LIG 1 5.755 -4.840 0.049 0.00 0.00 +0.113 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 6 8 BRANCH 4 21 ATOM 21 C LIG 1 -3.427 0.760 -0.258 0.00 0.00 +0.245 C ATOM 22 N LIG 1 -3.738 -0.378 0.451 0.00 0.00 -0.307 N ATOM 23 H LIG 1 -3.173 -0.619 1.256 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -4.162 1.278 -1.088 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 -5.040 -1.000 0.362 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 C LIG 1 -4.860 -2.487 0.316 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -4.729 -3.156 1.650 0.00 0.00 +0.254 A ATOM 28 O LIG 1 -4.692 -2.518 2.699 0.00 0.00 -0.268 OA ATOM 29 N LIG 1 -4.631 -4.524 1.645 0.00 0.00 -0.326 N ATOM 30 H LIG 1 -4.546 -4.956 2.557 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 -4.618 -5.298 0.511 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -4.487 -6.778 0.696 0.00 0.00 +0.063 C ATOM 33 C LIG 1 -4.716 -4.701 -0.686 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -4.843 -3.255 -0.797 0.00 0.00 -0.039 A ATOM 35 C LIG 1 -4.931 -2.735 -2.206 0.00 0.00 +0.044 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 4 21 BRANCH 1 36 ATOM 36 N LIG 1 -0.469 4.576 0.957 0.00 0.00 -0.327 N BRANCH 36 37 ATOM 37 C LIG 1 0.597 5.307 0.215 0.00 0.00 +0.078 C ATOM 38 C LIG 1 0.425 5.116 -1.310 0.00 0.00 +0.050 C ATOM 39 C LIG 1 0.975 6.285 -2.116 0.00 0.00 +0.161 C ATOM 40 O LIG 1 2.078 6.868 -1.433 0.00 0.00 -0.380 OA ATOM 41 C LIG 1 1.671 7.542 -0.244 0.00 0.00 +0.161 C ATOM 42 C LIG 1 0.567 6.810 0.518 0.00 0.00 +0.050 C ENDBRANCH 36 37 BRANCH 36 44 ATOM 43 C LIG 1 0.623 4.502 3.228 0.00 0.00 +0.024 C ATOM 44 C LIG 1 -0.624 4.812 2.410 0.00 0.00 +0.102 C ENDBRANCH 36 44 ENDBRANCH 1 36 TORSDOF 9