REMARK Name = BDB004282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.338 -1.886 -0.011 0.00 0.00 +0.006 C ATOM 2 C LIG 1 -1.185 -2.830 -0.875 0.00 0.00 +0.024 C ATOM 3 C LIG 1 -2.544 -2.205 -1.214 0.00 0.00 +0.105 C ATOM 4 N LIG 1 -3.081 -1.429 -0.089 0.00 0.00 -0.330 N ATOM 5 C LIG 1 -2.583 -1.810 1.233 0.00 0.00 +0.105 C ATOM 6 C LIG 1 -1.076 -1.552 1.304 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.262 -0.708 -0.234 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -5.078 -0.821 -1.370 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -6.264 -0.086 -1.519 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -6.690 0.809 -0.532 0.00 0.00 -0.039 A ATOM 11 C LIG 1 -5.878 0.953 0.596 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.690 0.217 0.730 0.00 0.00 +0.023 A BRANCH 10 13 ATOM 13 C LIG 1 -8.003 1.568 -0.717 0.00 0.00 +0.063 C ATOM 14 C LIG 1 -9.255 0.869 -0.124 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -9.290 1.108 1.388 0.00 0.00 +0.238 C ATOM 16 O LIG 1 -9.416 2.499 1.713 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -8.640 3.356 0.978 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -8.594 4.670 1.446 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -7.840 5.618 0.762 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -7.135 5.274 -0.383 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -7.189 3.964 -0.859 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -7.948 2.991 -0.185 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 -9.444 -0.576 -0.554 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -8.905 -1.652 0.164 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -9.088 -2.965 -0.274 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -9.809 -3.221 -1.437 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -10.346 -2.164 -2.166 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -10.163 -0.851 -1.729 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 -7.767 6.911 1.190 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -8.324 7.007 1.979 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 1.060 -2.488 0.244 0.00 0.00 +0.088 C BRANCH 31 35 ATOM 32 N LIG 1 4.712 -0.594 0.503 0.00 0.00 -0.326 N ATOM 33 C LIG 1 3.580 0.304 0.794 0.00 0.00 +0.120 C ATOM 34 C LIG 1 2.243 -0.350 0.371 0.00 0.00 +0.103 C ATOM 35 N LIG 1 1.941 -1.630 1.052 0.00 0.00 -0.299 NA ATOM 36 C LIG 1 3.184 -2.330 1.442 0.00 0.00 +0.103 C ATOM 37 C LIG 1 4.428 -2.039 0.569 0.00 0.00 +0.120 C BRANCH 32 41 ATOM 38 C LIG 1 8.581 0.908 0.064 0.00 0.00 +0.125 A ATOM 39 N LIG 1 7.632 1.715 0.583 0.00 0.00 -0.249 NA ATOM 40 C LIG 1 6.388 1.186 0.710 0.00 0.00 +0.134 A ATOM 41 C LIG 1 6.001 -0.114 0.356 0.00 0.00 +0.048 A ATOM 42 C LIG 1 7.029 -0.896 -0.185 0.00 0.00 +0.027 A ATOM 43 C LIG 1 8.326 -0.396 -0.336 0.00 0.00 +0.035 A BRANCH 38 46 ATOM 44 N LIG 1 11.013 0.623 0.151 0.00 0.00 -0.299 N ATOM 45 H LIG 1 10.794 -0.185 0.728 0.00 0.00 +0.150 HD ATOM 46 C LIG 1 9.955 1.497 -0.068 0.00 0.00 +0.263 C ATOM 47 O LIG 1 10.123 2.683 -0.329 0.00 0.00 -0.269 OA BRANCH 44 54 ATOM 48 O LIG 1 14.859 -1.306 -1.926 0.00 0.00 -0.275 OA ATOM 49 C LIG 1 14.221 -0.473 -1.288 0.00 0.00 +0.219 C ATOM 50 N LIG 1 14.242 -0.474 0.083 0.00 0.00 -0.255 N ATOM 51 H LIG 1 14.752 -1.252 0.481 0.00 0.00 +0.158 HD ATOM 52 C LIG 1 13.228 0.009 0.869 0.00 0.00 +0.240 C ATOM 53 O LIG 1 12.945 -0.548 1.930 0.00 0.00 -0.273 OA ATOM 54 C LIG 1 12.372 1.143 0.291 0.00 0.00 +0.160 C ATOM 55 C LIG 1 12.973 1.670 -1.012 0.00 0.00 +0.041 C ATOM 56 C LIG 1 13.303 0.523 -1.953 0.00 0.00 +0.098 C ENDBRANCH 44 54 ENDBRANCH 38 46 ENDBRANCH 32 41 ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 9