REMARK Name = BDB036261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.785 2.732 -0.952 0.00 0.00 +0.061 A ATOM 2 C LIG 1 -1.071 1.353 -0.728 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -0.180 0.648 0.055 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -0.649 -0.642 0.131 0.00 0.00 +0.120 A ATOM 5 C LIG 1 -1.827 -0.663 -0.592 0.00 0.00 +0.074 A ATOM 6 C LIG 1 0.974 1.229 0.620 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.225 2.493 0.403 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -2.061 0.581 -1.134 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 0.333 3.211 -0.366 0.00 0.00 +0.128 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -3.562 6.564 -2.761 0.00 0.00 +0.067 C ATOM 11 C LIG 1 -2.816 5.300 -2.548 0.00 0.00 +0.061 A ATOM 12 N LIG 1 -2.812 4.350 -3.487 0.00 0.00 -0.176 NA ATOM 13 N LIG 1 -2.072 3.350 -2.956 0.00 0.00 -0.266 N ATOM 14 C LIG 1 -1.843 2.181 -3.776 0.00 0.00 +0.173 C ATOM 15 C LIG 1 -1.591 3.643 -1.697 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -2.064 4.913 -1.419 0.00 0.00 +0.052 A ENDBRANCH 1 15 BRANCH 6 17 ATOM 17 N LIG 1 1.813 0.438 1.377 0.00 0.00 -0.310 N ATOM 18 H LIG 1 1.424 -0.415 1.766 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 2.855 1.015 2.205 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 3.866 -0.043 2.543 0.00 0.00 +0.012 A ATOM 21 C LIG 1 4.753 -0.550 1.595 0.00 0.00 +0.005 A ATOM 22 C LIG 1 4.877 -0.247 0.148 0.00 0.00 +0.080 C ATOM 23 C LIG 1 6.213 -0.936 -0.134 0.00 0.00 +0.234 C ATOM 24 O LIG 1 6.447 -1.948 0.873 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 5.662 -1.548 1.923 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.733 -2.090 3.191 0.00 0.00 +0.049 A ATOM 27 C LIG 1 4.859 -1.595 4.160 0.00 0.00 +0.042 A ATOM 28 C LIG 1 3.941 -0.586 3.832 0.00 0.00 +0.129 A ATOM 29 F LIG 1 3.105 -0.149 4.787 0.00 0.00 -0.205 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.809 -1.769 -0.833 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -2.357 -3.018 -0.201 0.00 0.00 -0.308 NA ATOM 32 H LIG 1 -1.486 -3.291 -0.651 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.407 -4.027 -0.335 0.00 0.00 +0.054 C ATOM 34 C LIG 1 -2.932 -5.329 0.353 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -4.327 -5.404 1.013 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -4.436 -3.876 0.813 0.00 0.00 +0.019 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7