REMARK Name = BDB004327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.203 -0.954 0.406 0.00 0.00 -0.330 N ATOM 2 C LIG 1 -1.483 -0.292 -0.686 0.00 0.00 +0.105 C ATOM 3 C LIG 1 -0.049 -0.817 -0.768 0.00 0.00 +0.024 C ATOM 4 C LIG 1 0.742 -0.544 0.527 0.00 0.00 +0.006 C ATOM 5 C LIG 1 -0.198 -0.434 1.740 0.00 0.00 +0.024 C ATOM 6 C LIG 1 -1.433 -1.322 1.603 0.00 0.00 +0.105 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.730 0.240 -0.100 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -6.458 -0.594 0.758 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -5.714 -1.546 1.489 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -4.326 -1.678 1.353 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -3.589 -0.841 0.513 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -4.328 0.107 -0.209 0.00 0.00 +0.069 A BRANCH 8 13 ATOM 13 C LIG 1 -7.968 -0.530 1.044 0.00 0.00 +0.067 C ATOM 14 C LIG 1 -8.797 0.750 0.728 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -10.060 0.638 1.610 0.00 0.00 +0.238 C ATOM 16 O LIG 1 -10.852 -0.536 1.397 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -10.208 -1.670 0.984 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -11.046 -2.767 0.767 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -10.514 -3.954 0.282 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -9.161 -4.054 -0.007 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -8.321 -2.959 0.216 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -8.826 -1.755 0.735 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 -9.209 1.109 -0.706 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -9.150 0.221 -1.789 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -9.526 0.624 -3.073 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -9.969 1.924 -3.303 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -10.029 2.825 -2.245 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -9.654 2.421 -0.962 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 -11.299 -5.048 0.060 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -12.195 -4.848 0.377 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 8 13 BRANCH 7 32 ATOM 31 C LIG 1 -5.884 1.631 -2.018 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -6.388 1.252 -0.739 0.00 0.00 -0.495 OA ENDBRANCH 7 32 ENDBRANCH 1 11 BRANCH 4 33 ATOM 33 C LIG 1 1.623 0.720 0.379 0.00 0.00 +0.088 C BRANCH 33 34 ATOM 34 N LIG 1 2.312 1.112 1.616 0.00 0.00 -0.299 NA ATOM 35 C LIG 1 3.371 0.168 2.041 0.00 0.00 +0.110 C ATOM 36 C LIG 1 4.652 0.187 1.170 0.00 0.00 +0.125 C ATOM 37 N LIG 1 5.187 1.565 1.078 0.00 0.00 -0.317 N ATOM 38 C LIG 1 6.513 1.611 0.620 0.00 0.00 +0.093 A ATOM 39 C LIG 1 7.332 0.453 0.566 0.00 0.00 +0.237 A ATOM 40 O LIG 1 6.865 -0.796 0.917 0.00 0.00 -0.473 OA ATOM 41 N LIG 1 8.619 0.425 0.156 0.00 0.00 -0.207 NA ATOM 42 C LIG 1 9.164 1.619 -0.186 0.00 0.00 +0.129 A ATOM 43 C LIG 1 8.475 2.821 -0.158 0.00 0.00 +0.035 A ATOM 44 C LIG 1 7.140 2.808 0.250 0.00 0.00 +0.031 A ATOM 45 C LIG 1 4.200 2.570 0.648 0.00 0.00 +0.121 C ATOM 46 C LIG 1 5.726 -0.719 1.778 0.00 0.00 +0.254 C ATOM 47 C LIG 1 2.909 2.465 1.502 0.00 0.00 +0.103 C BRANCH 42 48 ATOM 48 C LIG 1 10.605 1.592 -0.593 0.00 0.00 +0.263 C ATOM 49 N LIG 1 11.172 0.332 -0.588 0.00 0.00 -0.299 N ATOM 50 H LIG 1 10.498 -0.432 -0.528 0.00 0.00 +0.150 HD ATOM 51 O LIG 1 11.210 2.612 -0.900 0.00 0.00 -0.269 OA BRANCH 49 52 ATOM 52 C LIG 1 12.489 0.097 -1.148 0.00 0.00 +0.160 C ATOM 53 C LIG 1 12.411 -0.276 -2.638 0.00 0.00 +0.240 C ATOM 54 O LIG 1 11.464 -0.007 -3.376 0.00 0.00 -0.273 OA ATOM 55 N LIG 1 13.524 -0.913 -3.141 0.00 0.00 -0.255 N ATOM 56 H LIG 1 13.517 -1.093 -4.135 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 14.610 -1.387 -2.451 0.00 0.00 +0.219 C ATOM 58 O LIG 1 15.550 -1.917 -3.037 0.00 0.00 -0.275 OA ATOM 59 C LIG 1 14.610 -1.182 -0.953 0.00 0.00 +0.098 C ATOM 60 C LIG 1 13.200 -1.022 -0.400 0.00 0.00 +0.041 C ENDBRANCH 49 52 ENDBRANCH 42 48 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 9