REMARK Name = BDB027000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.073 -1.380 0.058 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.638 -2.735 0.606 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.489 -2.890 1.996 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.094 -4.112 2.544 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.142 -5.202 1.712 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.028 -5.076 0.336 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.424 -3.854 -0.215 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.550 -1.270 0.198 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -2.963 -1.832 -0.553 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.023 0.114 0.081 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -5.106 -0.315 1.508 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -4.565 0.203 0.169 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.031 1.628 -0.107 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -5.707 1.918 -1.303 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.135 3.218 -1.584 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -5.890 4.250 -0.673 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -5.214 3.973 0.518 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -4.786 2.672 0.798 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 -6.329 5.584 -0.960 0.00 0.00 +0.099 C ATOM 20 N LIG 1 -6.683 6.665 -1.191 0.00 0.00 -0.191 NA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.651 -1.154 -1.414 0.00 0.00 +0.188 C ATOM 22 O LIG 1 -1.441 -1.419 -2.329 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 0.664 -0.613 -1.748 0.00 0.00 +0.064 A ATOM 24 C LIG 1 1.807 -0.394 -0.995 0.00 0.00 +0.077 A ATOM 25 N LIG 1 2.761 0.167 -1.859 0.00 0.00 -0.239 N ATOM 26 C LIG 1 4.036 0.542 -1.439 0.00 0.00 +0.121 A ATOM 27 C LIG 1 4.436 0.376 -0.162 0.00 0.00 +0.003 A ATOM 28 C LIG 1 3.459 -0.240 0.743 0.00 0.00 +0.012 A ATOM 29 N LIG 1 2.273 0.291 -3.115 0.00 0.00 -0.174 NA ATOM 30 C LIG 1 2.223 -0.602 0.352 0.00 0.00 +0.029 A ATOM 31 C LIG 1 1.033 -0.184 -3.044 0.00 0.00 +0.146 A BRANCH 27 32 ATOM 32 C LIG 1 5.736 0.761 0.304 0.00 0.00 +0.021 A ATOM 33 C LIG 1 6.870 0.944 -0.462 0.00 0.00 +0.116 A ATOM 34 N LIG 1 7.863 1.301 0.404 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.237 1.596 0.076 0.00 0.00 +0.172 C ATOM 36 N LIG 1 7.459 1.367 1.685 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 6.165 1.041 1.622 0.00 0.00 +0.143 A ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9