REMARK Name = BDB010267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.869 2.187 -0.778 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.544 1.422 0.276 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.504 0.339 0.657 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -1.233 -0.308 1.670 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -2.594 0.145 -0.184 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -2.798 1.009 -1.238 0.00 0.00 +0.119 A ATOM 7 N LIG 1 -1.992 1.985 -1.525 0.00 0.00 -0.238 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -3.450 -0.966 0.090 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -3.520 -1.462 1.338 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -4.320 -2.526 1.579 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -5.082 -3.142 0.621 0.00 0.00 +0.157 A ATOM 12 C LIG 1 -4.963 -2.569 -0.622 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -4.173 -1.506 -0.905 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -5.917 -4.202 0.745 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.989 -4.865 2.008 0.00 0.00 +0.226 C ATOM 16 C LIG 1 -7.035 -4.219 2.899 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 -4.044 0.975 -2.125 0.00 0.00 +0.071 C ATOM 18 C LIG 1 -5.281 1.461 -1.388 0.00 0.00 +0.012 C ENDBRANCH 6 17 BRANCH 1 19 ATOM 19 C LIG 1 -0.033 3.353 -1.274 0.00 0.00 +0.056 C BRANCH 19 20 ATOM 20 C LIG 1 -0.595 4.693 -0.787 0.00 0.00 +0.006 C BRANCH 20 22 ATOM 21 C LIG 1 0.353 6.129 -2.672 0.00 0.00 +0.004 C ATOM 22 C LIG 1 0.278 5.890 -1.172 0.00 0.00 -0.003 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 2 23 ATOM 23 C LIG 1 0.666 1.588 1.163 0.00 0.00 +0.079 C BRANCH 23 24 ATOM 24 C LIG 1 1.759 0.581 0.895 0.00 0.00 -0.025 A ATOM 25 C LIG 1 2.653 0.735 -0.157 0.00 0.00 +0.115 A ATOM 26 N LIG 1 3.658 -0.132 -0.444 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 3.768 -1.239 0.335 0.00 0.00 +0.072 A ATOM 28 C LIG 1 2.914 -1.479 1.408 0.00 0.00 +0.028 A ATOM 29 C LIG 1 1.908 -0.558 1.689 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 C LIG 1 4.827 -2.188 -0.036 0.00 0.00 +0.011 A ATOM 31 C LIG 1 6.208 -1.926 0.098 0.00 0.00 +0.030 A ATOM 32 C LIG 1 7.148 -2.928 -0.208 0.00 0.00 +0.012 A ATOM 33 C LIG 1 6.737 -4.176 -0.675 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.383 -4.439 -0.835 0.00 0.00 +0.001 A ATOM 35 C LIG 1 4.441 -3.459 -0.516 0.00 0.00 +0.011 A BRANCH 31 36 ATOM 36 C LIG 1 6.770 -0.646 0.574 0.00 0.00 +0.183 A ATOM 37 N LIG 1 6.176 0.520 0.306 0.00 0.00 -0.271 N ATOM 38 H LIG 1 5.307 0.668 -0.188 0.00 0.00 +0.174 HD ATOM 39 C LIG 1 6.921 1.482 0.864 0.00 0.00 +0.440 A ATOM 40 O LIG 1 6.680 2.679 0.856 0.00 0.00 -0.221 OA ATOM 41 O LIG 1 8.009 0.892 1.458 0.00 0.00 -0.295 OA ATOM 42 N LIG 1 7.872 -0.517 1.237 0.00 0.00 -0.054 NA ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 11