REMARK Name = BDB043027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.420 4.322 0.716 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.464 2.943 0.635 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.141 2.501 0.645 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -0.177 1.123 0.561 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.843 0.252 0.481 0.00 0.00 +0.087 A ATOM 6 C LIG 1 2.242 0.796 0.499 0.00 0.00 +0.124 A ATOM 7 N LIG 1 -0.739 3.544 0.714 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 2.517 2.077 0.558 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 0.042 4.623 0.762 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.562 6.221 -0.455 0.00 0.00 +0.012 C ATOM 11 C LIG 1 2.581 5.270 0.743 0.00 0.00 +0.018 C ATOM 12 C LIG 1 2.634 6.058 2.054 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 3.337 -0.034 0.429 0.00 0.00 -0.329 N ATOM 14 H LIG 1 4.173 0.546 0.493 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 3.470 -1.238 1.237 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 4.421 -2.257 0.587 0.00 0.00 +0.037 C ATOM 17 C LIG 1 5.863 -1.741 0.452 0.00 0.00 +0.133 C ATOM 18 C LIG 1 6.750 -2.773 -0.270 0.00 0.00 +0.112 C ATOM 19 N LIG 1 6.208 -3.202 -1.561 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 6.171 -2.397 -2.189 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 4.859 -3.749 -1.410 0.00 0.00 +0.081 C ATOM 22 C LIG 1 3.901 -2.741 -0.776 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 6.393 -1.447 1.744 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 6.585 -2.287 2.195 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 -1.535 0.784 0.566 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.103 1.631 0.451 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.112 -0.369 -0.119 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 -3.595 -0.542 0.023 0.00 0.00 +0.077 A ATOM 29 N LIG 1 -4.318 -1.237 -0.924 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 -5.573 -1.212 -0.512 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -5.689 -0.511 0.684 0.00 0.00 -0.306 N ATOM 32 C LIG 1 -6.892 -0.307 1.351 0.00 0.00 +0.093 A ATOM 33 C LIG 1 -8.022 -0.805 0.824 0.00 0.00 +0.018 A ATOM 34 C LIG 1 -7.946 -1.542 -0.427 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -6.778 -1.762 -1.076 0.00 0.00 -0.001 A ATOM 36 C LIG 1 -4.430 -0.095 1.027 0.00 0.00 +0.117 A BRANCH 35 37 ATOM 37 C LIG 1 -6.641 -2.482 -2.354 0.00 0.00 +0.023 C ATOM 38 C LIG 1 -5.902 -3.798 -2.386 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -7.387 -3.775 -2.587 0.00 0.00 +0.009 C ENDBRANCH 35 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 9