REMARK Name = BDB004290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.889 0.190 1.428 0.00 0.00 +0.004 C ATOM 2 C LIG 1 0.008 -0.964 0.904 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -1.212 -0.004 0.815 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -2.448 -0.477 1.593 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -3.139 -1.611 0.832 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.486 -1.167 -0.527 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -2.346 -0.691 -1.321 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -1.606 0.439 -0.603 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -0.379 1.060 1.580 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.770 -0.668 -0.735 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -5.033 0.534 -1.405 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -6.340 1.008 -1.596 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -7.444 0.278 -1.141 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -7.199 -0.937 -0.495 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.890 -1.394 -0.300 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -8.855 0.818 -1.344 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -9.422 1.543 -0.094 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -10.871 1.950 -0.392 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -11.735 0.870 -0.755 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -11.223 -0.025 -1.653 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -12.163 -0.882 -2.232 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -11.752 -1.823 -3.168 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -10.417 -1.919 -3.533 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.478 -1.070 -2.944 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -9.863 -0.132 -1.969 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -9.257 0.842 1.255 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -10.069 -0.220 1.676 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -9.864 -0.836 2.914 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -8.842 -0.401 3.753 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -8.022 0.648 3.353 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -8.227 1.263 2.116 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -12.637 -2.673 -3.761 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -13.523 -2.491 -3.406 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 1.965 0.673 0.448 0.00 0.00 +0.088 C BRANCH 34 45 ATOM 35 N LIG 1 10.983 -0.958 0.529 0.00 0.00 -0.282 N ATOM 36 C LIG 1 10.642 -0.457 -0.715 0.00 0.00 +0.248 C ATOM 37 O LIG 1 11.287 -0.498 -1.743 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 9.303 0.126 -0.582 0.00 0.00 +0.045 A ATOM 39 C LIG 1 8.869 -0.074 0.722 0.00 0.00 -0.016 A ATOM 40 C LIG 1 7.625 0.386 1.131 0.00 0.00 +0.032 A ATOM 41 C LIG 1 6.789 1.050 0.211 0.00 0.00 +0.073 A ATOM 42 N LIG 1 5.521 1.544 0.581 0.00 0.00 -0.318 N ATOM 43 C LIG 1 4.662 1.802 -0.601 0.00 0.00 +0.125 C ATOM 44 C LIG 1 3.373 2.560 -0.195 0.00 0.00 +0.110 C ATOM 45 N LIG 1 2.591 1.928 0.897 0.00 0.00 -0.299 NA ATOM 46 C LIG 1 3.507 1.743 2.046 0.00 0.00 +0.103 C ATOM 47 C LIG 1 5.461 2.626 -1.611 0.00 0.00 +0.252 C ATOM 48 O LIG 1 6.579 1.887 -2.112 0.00 0.00 -0.488 OA ATOM 49 C LIG 1 4.824 0.980 1.750 0.00 0.00 +0.121 C ATOM 50 C LIG 1 7.288 1.249 -1.116 0.00 0.00 +0.142 A ATOM 51 C LIG 1 8.539 0.776 -1.524 0.00 0.00 +0.061 A ATOM 52 C LIG 1 9.906 -0.817 1.496 0.00 0.00 +0.144 C BRANCH 35 59 ATOM 53 O LIG 1 15.072 -2.273 -2.115 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 14.224 -2.061 -1.251 0.00 0.00 +0.219 C ATOM 55 N LIG 1 13.329 -3.037 -0.895 0.00 0.00 -0.255 N ATOM 56 H LIG 1 13.367 -3.881 -1.448 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 12.300 -2.961 0.011 0.00 0.00 +0.240 C ATOM 58 O LIG 1 11.473 -3.870 0.100 0.00 0.00 -0.273 OA ATOM 59 C LIG 1 12.205 -1.683 0.847 0.00 0.00 +0.163 C ATOM 60 C LIG 1 13.481 -0.846 0.821 0.00 0.00 +0.041 C ATOM 61 C LIG 1 14.107 -0.728 -0.556 0.00 0.00 +0.098 C ENDBRANCH 35 59 ENDBRANCH 34 45 ENDBRANCH 1 34 TORSDOF 7