REMARK Name = BDB038579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.275 -1.151 0.229 0.00 0.00 -0.009 A ATOM 2 C LIG 1 2.986 -1.052 -0.309 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.910 -0.722 0.504 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.080 -0.553 1.828 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 3.300 -0.696 2.401 0.00 0.00 +0.047 A ATOM 6 C LIG 1 4.410 -0.983 1.610 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.628 -0.527 -0.051 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.515 -0.201 0.679 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.703 -0.048 1.871 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.602 -0.040 -0.299 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.086 -0.256 -1.571 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -1.902 -0.161 -2.684 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -3.252 0.157 -2.488 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.775 0.384 -1.193 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -2.930 0.274 -0.077 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.367 -0.575 -1.479 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.240 0.705 -1.006 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 -5.985 -0.505 -0.657 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 -5.765 -1.221 -1.351 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 -7.446 -0.292 -0.660 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 C LIG 1 -7.922 0.436 0.614 0.00 0.00 +0.078 C ATOM 22 C LIG 1 -9.468 0.432 0.811 0.00 0.00 +0.036 C ATOM 23 C LIG 1 -9.517 1.819 0.152 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -8.034 1.989 0.521 0.00 0.00 +0.036 C BRANCH 21 25 ATOM 25 O LIG 1 -7.180 -0.050 1.759 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 -6.326 -0.332 1.368 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 5.732 -0.608 -1.787 0.00 0.00 +0.032 A ATOM 28 C LIG 1 5.453 -1.392 -0.636 0.00 0.00 +0.028 A ATOM 29 C LIG 1 6.346 -2.441 -0.338 0.00 0.00 +0.134 A ATOM 30 F LIG 1 6.137 -3.213 0.740 0.00 0.00 -0.205 F ATOM 31 C LIG 1 7.454 -2.724 -1.129 0.00 0.00 +0.077 A ATOM 32 C LIG 1 7.688 -1.956 -2.255 0.00 0.00 +0.127 A ATOM 33 F LIG 1 8.748 -2.223 -3.029 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.841 -0.908 -2.594 0.00 0.00 +0.050 A BRANCH 27 37 ATOM 35 C LIG 1 5.418 2.186 -0.387 0.00 0.00 +0.152 C ATOM 36 N LIG 1 4.734 1.711 -1.560 0.00 0.00 -0.317 N ATOM 37 C LIG 1 4.880 0.506 -2.203 0.00 0.00 +0.165 A ATOM 38 N LIG 1 4.081 0.501 -3.254 0.00 0.00 -0.129 NA ATOM 39 N LIG 1 3.386 1.687 -3.278 0.00 0.00 -0.138 NA ATOM 40 C LIG 1 3.792 2.404 -2.257 0.00 0.00 +0.225 A ENDBRANCH 27 37 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 3.365 -0.508 3.903 0.00 0.00 +0.038 C ATOM 42 C LIG 1 4.545 0.149 4.579 0.00 0.00 +0.010 C ATOM 43 C LIG 1 4.299 -1.321 4.768 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9