REMARK Name = BDB019104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.069 0.723 -0.123 0.00 0.00 +0.027 A ATOM 2 C LIG 1 -0.913 1.769 -0.580 0.00 0.00 +0.095 A ATOM 3 N LIG 1 -2.273 1.564 -0.461 0.00 0.00 -0.269 N ATOM 4 C LIG 1 -2.890 2.672 -0.985 0.00 0.00 +0.208 A ATOM 5 N LIG 1 -2.023 3.572 -1.399 0.00 0.00 -0.224 NA ATOM 6 C LIG 1 -2.836 0.394 0.093 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.042 -0.561 0.499 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 -0.786 3.015 -1.155 0.00 0.00 +0.166 A ATOM 9 C LIG 1 -0.680 -0.371 0.382 0.00 0.00 +0.125 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.227 0.802 -0.217 0.00 0.00 -0.030 A ATOM 11 C LIG 1 3.495 0.071 -1.171 0.00 0.00 +0.006 A ATOM 12 C LIG 1 2.099 0.042 -1.143 0.00 0.00 +0.009 A ATOM 13 C LIG 1 1.402 0.742 -0.154 0.00 0.00 -0.014 A ATOM 14 C LIG 1 2.118 1.461 0.809 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.516 1.488 0.779 0.00 0.00 +0.006 A BRANCH 10 17 ATOM 16 C LIG 1 6.428 1.998 0.379 0.00 0.00 +0.029 C ATOM 17 C LIG 1 5.756 0.791 -0.300 0.00 0.00 +0.084 C BRANCH 17 18 ATOM 18 N LIG 1 6.280 -0.526 0.091 0.00 0.00 -0.296 NA ATOM 19 C LIG 1 7.680 -0.764 -0.240 0.00 0.00 +0.085 C ATOM 20 C LIG 1 7.939 -2.108 0.420 0.00 0.00 +0.017 C ATOM 21 C LIG 1 6.996 -2.144 1.619 0.00 0.00 +0.017 C ATOM 22 C LIG 1 6.138 -0.890 1.498 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 N LIG 1 -4.208 0.292 0.185 0.00 0.00 -0.310 N ATOM 24 H LIG 1 -4.735 1.156 0.242 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.823 -0.783 0.947 0.00 0.00 +0.143 C BRANCH 25 26 ATOM 26 C LIG 1 -6.297 -0.808 0.664 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -6.819 -1.351 -0.506 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -6.136 -2.042 -1.627 0.00 0.00 +0.080 C ATOM 29 C LIG 1 -7.283 -2.068 -2.637 0.00 0.00 +0.234 C ATOM 30 O LIG 1 -8.539 -1.949 -1.929 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 -8.188 -1.362 -0.742 0.00 0.00 +0.124 A ATOM 32 C LIG 1 -9.095 -0.837 0.157 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -8.594 -0.269 1.328 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -7.212 -0.255 1.568 0.00 0.00 +0.129 A ATOM 35 F LIG 1 -6.766 0.310 2.699 0.00 0.00 -0.205 F ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 6 23 BRANCH 8 36 ATOM 36 C LIG 1 0.415 3.719 -1.495 0.00 0.00 +0.121 C ATOM 37 N LIG 1 1.390 4.291 -1.763 0.00 0.00 -0.189 NA ENDBRANCH 8 36 TORSDOF 7