REMARK Name = BDB049349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.778 -2.285 0.704 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -2.444 -2.689 0.869 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.439 -1.711 0.905 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.085 -1.864 1.054 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.426 -0.649 1.023 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -0.570 0.290 0.853 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -1.777 -0.369 0.775 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -3.097 0.063 0.604 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -4.090 -0.925 0.572 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -6.010 -2.896 -1.645 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -5.815 -3.548 -0.329 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.835 -3.272 0.662 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.113 -4.175 1.665 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -4.535 -4.470 2.991 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -6.178 -4.938 1.297 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -6.625 -4.544 0.050 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -0.393 1.730 0.759 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 -0.259 2.190 -0.699 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 -0.008 3.636 -0.810 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 0.575 3.963 -2.131 0.00 0.00 +0.112 C ATOM 21 C LIG 1 0.408 5.451 -2.474 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -0.967 5.835 -2.608 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -1.858 5.025 -1.833 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -1.210 4.463 -0.556 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 1.877 -0.305 1.149 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 2.771 -1.550 1.178 0.00 0.00 +0.045 C BRANCH 26 27 ATOM 27 C LIG 1 4.233 -1.177 1.254 0.00 0.00 -0.021 A ATOM 28 C LIG 1 5.014 -0.837 0.120 0.00 0.00 -0.012 A ATOM 29 C LIG 1 6.363 -0.470 0.321 0.00 0.00 +0.000 A ATOM 30 C LIG 1 7.179 -0.122 -0.771 0.00 0.00 +0.010 A ATOM 31 C LIG 1 6.673 -0.133 -2.068 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.349 -0.492 -2.288 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.851 -0.462 1.628 0.00 0.00 +0.119 A ATOM 34 N LIG 1 6.127 -0.778 2.723 0.00 0.00 -0.262 NA ATOM 35 C LIG 1 4.530 -0.839 -1.209 0.00 0.00 +0.009 A ATOM 36 C LIG 1 4.843 -1.128 2.508 0.00 0.00 +0.115 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7