REMARK Name = BDB064154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.731 1.600 -0.106 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -2.180 1.863 -0.185 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.886 1.081 -1.101 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -3.163 1.510 -2.226 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.384 3.308 -0.263 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -1.073 3.848 -0.824 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.055 2.978 -0.107 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.022 0.461 1.155 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.671 1.062 0.654 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.321 0.763 1.117 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -1.117 0.353 1.956 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.605 -0.190 2.308 0.00 0.00 +0.141 C BRANCH 12 19 ATOM 13 C LIG 1 5.544 -1.780 1.563 0.00 0.00 -0.000 A ATOM 14 C LIG 1 5.274 -0.417 1.252 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.981 0.112 1.479 0.00 0.00 +0.076 A ATOM 16 N LIG 1 3.673 1.397 1.179 0.00 0.00 -0.255 NA ATOM 17 C LIG 1 4.633 2.202 0.674 0.00 0.00 +0.111 A ATOM 18 C LIG 1 5.921 1.786 0.429 0.00 0.00 +0.020 A ATOM 19 C LIG 1 2.989 -0.724 2.013 0.00 0.00 -0.004 A ATOM 20 C LIG 1 3.269 -2.065 2.323 0.00 0.00 +0.008 A ATOM 21 C LIG 1 6.240 0.467 0.720 0.00 0.00 +0.012 A ATOM 22 C LIG 1 4.534 -2.590 2.095 0.00 0.00 +0.010 A BRANCH 13 25 ATOM 23 C LIG 1 6.830 -2.825 -1.207 0.00 0.00 +0.067 C ATOM 24 C LIG 1 7.439 -2.836 0.152 0.00 0.00 +0.053 A ATOM 25 C LIG 1 6.857 -2.386 1.329 0.00 0.00 +0.042 A ATOM 26 S LIG 1 7.943 -2.610 2.640 0.00 0.00 -0.075 S ATOM 27 C LIG 1 9.095 -3.258 1.552 0.00 0.00 +0.156 A ATOM 28 N LIG 1 8.730 -3.325 0.292 0.00 0.00 -0.252 NA ENDBRANCH 13 25 ENDBRANCH 12 19 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 29 ATOM 29 O LIG 1 -0.970 3.634 -2.234 0.00 0.00 -0.390 OA ATOM 30 H LIG 1 -1.704 3.045 -2.512 0.00 0.00 +0.210 HD ENDBRANCH 6 29 BRANCH 3 31 ATOM 31 C LIG 1 -3.463 -0.245 -0.541 0.00 0.00 +0.164 C BRANCH 31 32 ATOM 32 C LIG 1 -2.980 -1.550 -1.252 0.00 0.00 -0.011 C ATOM 33 C LIG 1 -3.293 -1.575 -2.764 0.00 0.00 +0.013 C ATOM 34 C LIG 1 -3.679 -2.762 -0.594 0.00 0.00 +0.013 C ATOM 35 C LIG 1 -1.464 -1.747 -1.079 0.00 0.00 +0.013 C ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 N LIG 1 -4.916 -0.067 -0.695 0.00 0.00 -0.302 N ATOM 37 H LIG 1 -5.252 0.022 -1.647 0.00 0.00 +0.150 HD ATOM 38 C LIG 1 -5.681 0.502 0.297 0.00 0.00 +0.234 C ATOM 39 O LIG 1 -5.297 0.728 1.437 0.00 0.00 -0.274 OA BRANCH 38 40 ATOM 40 C LIG 1 -7.061 0.887 -0.127 0.00 0.00 +0.133 C ATOM 41 C LIG 1 -7.220 1.931 -1.228 0.00 0.00 +0.033 C ATOM 42 C LIG 1 -7.543 2.297 0.188 0.00 0.00 +0.033 C BRANCH 40 43 ATOM 43 C LIG 1 -8.036 -0.174 -0.055 0.00 0.00 +0.079 C ATOM 44 N LIG 1 -8.837 -1.014 -0.033 0.00 0.00 -0.195 NA ENDBRANCH 40 43 ENDBRANCH 38 40 ENDBRANCH 31 36 ENDBRANCH 3 31 TORSDOF 10