REMARK Name = BDB063158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.552 -0.784 -0.768 0.00 0.00 -0.033 A ATOM 2 C LIG 1 -1.947 0.270 -0.053 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -0.563 0.321 0.151 0.00 0.00 +0.011 A ATOM 4 C LIG 1 0.261 -0.680 -0.368 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -0.324 -1.732 -1.081 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -1.709 -1.784 -1.280 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -4.098 -0.781 -0.981 0.00 0.00 +0.066 C ATOM 8 C LIG 1 -4.598 -2.071 -1.663 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -4.363 0.427 -1.904 0.00 0.00 +0.025 C BRANCH 7 15 ATOM 10 C LIG 1 -9.548 2.048 0.873 0.00 0.00 +0.105 C ATOM 11 N LIG 1 -8.876 0.787 1.174 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 -7.702 1.012 2.041 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -6.637 -0.092 1.930 0.00 0.00 +0.123 C ATOM 14 N LIG 1 -6.110 -0.215 0.560 0.00 0.00 -0.298 N ATOM 15 C LIG 1 -4.815 -0.696 0.416 0.00 0.00 +0.226 C ATOM 16 O LIG 1 -4.223 -1.110 1.424 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -7.063 0.146 -0.496 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -8.534 0.032 -0.043 0.00 0.00 +0.103 C ENDBRANCH 7 15 ENDBRANCH 1 7 BRANCH 4 19 ATOM 19 C LIG 1 1.746 -0.683 -0.181 0.00 0.00 +0.169 C ATOM 20 O LIG 1 2.375 -1.687 -0.514 0.00 0.00 -0.292 OA BRANCH 19 21 ATOM 21 C LIG 1 2.391 0.542 0.446 0.00 0.00 +0.136 C BRANCH 21 22 ATOM 22 C LIG 1 3.872 0.589 0.292 0.00 0.00 +0.067 A ATOM 23 N LIG 1 4.471 1.662 -0.337 0.00 0.00 -0.232 NA ATOM 24 C LIG 1 5.763 1.413 -0.309 0.00 0.00 +0.138 A ATOM 25 N LIG 1 6.035 0.215 0.338 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.318 -0.298 0.511 0.00 0.00 +0.101 A ATOM 27 C LIG 1 8.379 0.386 0.032 0.00 0.00 -0.001 A ATOM 28 C LIG 1 8.121 1.656 -0.652 0.00 0.00 +0.013 A ATOM 29 C LIG 1 6.874 2.142 -0.814 0.00 0.00 +0.047 A ATOM 30 C LIG 1 4.831 -0.298 0.741 0.00 0.00 +0.116 A BRANCH 27 31 ATOM 31 C LIG 1 9.730 -0.163 0.224 0.00 0.00 -0.014 A ATOM 32 C LIG 1 10.134 -1.319 -0.447 0.00 0.00 +0.028 A ATOM 33 C LIG 1 11.420 -1.786 -0.235 0.00 0.00 +0.111 A ATOM 34 N LIG 1 12.310 -1.188 0.586 0.00 0.00 -0.263 NA ATOM 35 C LIG 1 11.897 -0.071 1.221 0.00 0.00 +0.111 A ATOM 36 C LIG 1 10.633 0.476 1.074 0.00 0.00 +0.028 A ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 6