REMARK Name = BDB004291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.970 -1.030 1.181 0.00 0.00 +0.004 C ATOM 2 C LIG 1 -0.042 -2.207 1.241 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -1.009 -1.362 0.352 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -1.998 -0.479 1.139 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -3.425 -1.027 1.045 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.845 -1.093 -0.363 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -2.820 -1.350 -1.375 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -1.689 -2.171 -0.760 0.00 0.00 +0.026 C ATOM 9 C LIG 1 0.262 -0.588 -0.123 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.110 -0.649 -0.729 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -6.218 -0.833 0.111 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -7.502 -0.393 -0.244 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -7.725 0.260 -1.461 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -6.630 0.446 -2.313 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.354 -0.013 -1.955 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -9.101 0.773 -1.869 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -9.475 2.132 -1.216 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -10.893 2.501 -1.676 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -11.897 1.528 -1.376 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -11.556 0.222 -1.605 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -12.625 -0.679 -1.575 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -12.394 -2.029 -1.807 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -11.113 -2.490 -2.068 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -10.043 -1.592 -2.081 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -10.246 -0.224 -1.819 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -9.274 2.265 0.295 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -8.117 2.911 0.772 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -7.884 3.051 2.143 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -8.801 2.550 3.063 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -9.947 1.902 2.610 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -10.179 1.758 1.239 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -13.410 -2.938 -1.790 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -14.231 -2.480 -1.547 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 2.443 -1.395 1.010 0.00 0.00 +0.088 C BRANCH 34 38 ATOM 35 N LIG 1 5.841 -0.740 2.276 0.00 0.00 -0.323 N ATOM 36 C LIG 1 4.706 0.177 2.545 0.00 0.00 +0.120 C ATOM 37 C LIG 1 3.472 -0.596 3.088 0.00 0.00 +0.103 C ATOM 38 N LIG 1 3.046 -1.779 2.298 0.00 0.00 -0.299 NA ATOM 39 C LIG 1 4.242 -2.635 2.099 0.00 0.00 +0.103 C ATOM 40 C LIG 1 5.456 -1.915 1.468 0.00 0.00 +0.120 C BRANCH 35 42 ATOM 41 C LIG 1 7.817 -0.176 0.794 0.00 0.00 +0.237 A ATOM 42 C LIG 1 7.054 -0.083 1.984 0.00 0.00 +0.092 A ATOM 43 C LIG 1 7.611 0.735 2.987 0.00 0.00 +0.031 A ATOM 44 C LIG 1 8.812 1.415 2.795 0.00 0.00 +0.035 A ATOM 45 C LIG 1 9.454 1.254 1.584 0.00 0.00 +0.129 A ATOM 46 N LIG 1 8.991 0.472 0.575 0.00 0.00 -0.207 NA BRANCH 45 47 ATOM 47 C LIG 1 10.758 1.947 1.320 0.00 0.00 +0.263 C ATOM 48 N LIG 1 11.302 1.656 0.084 0.00 0.00 -0.299 N ATOM 49 H LIG 1 10.815 0.909 -0.409 0.00 0.00 +0.150 HD ATOM 50 O LIG 1 11.273 2.692 2.142 0.00 0.00 -0.269 OA BRANCH 48 51 ATOM 51 C LIG 1 12.679 1.981 -0.244 0.00 0.00 +0.160 C ATOM 52 C LIG 1 13.554 0.740 -0.021 0.00 0.00 +0.240 C ATOM 53 O LIG 1 13.852 0.314 1.094 0.00 0.00 -0.273 OA ATOM 54 N LIG 1 13.906 0.027 -1.143 0.00 0.00 -0.255 N ATOM 55 H LIG 1 14.450 -0.810 -0.980 0.00 0.00 +0.158 HD ATOM 56 C LIG 1 13.471 0.204 -2.432 0.00 0.00 +0.219 C ATOM 57 O LIG 1 13.768 -0.599 -3.314 0.00 0.00 -0.275 OA ATOM 58 C LIG 1 12.561 1.381 -2.684 0.00 0.00 +0.098 C ATOM 59 C LIG 1 12.814 2.493 -1.677 0.00 0.00 +0.041 C ENDBRANCH 48 51 ENDBRANCH 45 47 BRANCH 41 61 ATOM 60 C LIG 1 8.192 -1.035 -1.371 0.00 0.00 +0.279 C ATOM 61 O LIG 1 7.327 -0.946 -0.244 0.00 0.00 -0.478 OA ENDBRANCH 41 61 ENDBRANCH 35 42 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 10