REMARK Name = BDB010420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.575 -0.925 0.762 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.414 -0.572 0.098 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.623 -0.653 1.000 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.010 -0.958 2.196 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.615 -1.071 3.379 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.929 -0.833 3.276 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.633 -0.535 2.168 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 2.002 -0.456 0.979 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.352 -1.126 2.037 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 2.687 -0.926 4.544 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.031 -1.214 5.680 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.043 -1.383 5.787 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 2.942 -1.238 6.661 0.00 0.00 +0.440 A ATOM 14 O LIG 1 2.722 -1.467 7.839 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.172 -0.962 6.117 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.959 -0.763 4.714 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -3.941 -0.471 0.926 0.00 0.00 +0.127 C ATOM 18 N LIG 1 -2.774 -0.960 0.117 0.00 0.00 -0.291 N ATOM 19 C LIG 1 -3.076 -2.241 -0.574 0.00 0.00 +0.136 C ATOM 20 C LIG 1 -3.685 -3.278 0.379 0.00 0.00 +0.179 C ATOM 21 O LIG 1 -4.878 -2.785 0.998 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 -4.588 -1.603 1.755 0.00 0.00 +0.184 C BRANCH 17 23 ATOM 23 C LIG 1 -4.952 0.281 0.026 0.00 0.00 +0.184 C BRANCH 23 25 ATOM 24 C LIG 1 -6.593 0.139 -1.663 0.00 0.00 +0.194 C ATOM 25 O LIG 1 -5.667 -0.580 -0.861 0.00 0.00 -0.381 OA ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 26 ATOM 26 N LIG 1 2.718 -0.182 -0.179 0.00 0.00 -0.324 N ATOM 27 H LIG 1 2.413 -0.752 -0.959 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 4.181 -0.088 -0.083 0.00 0.00 +0.072 C ATOM 29 C LIG 1 4.652 0.769 -1.261 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 4.821 -1.482 -0.067 0.00 0.00 +0.009 C ATOM 31 C LIG 1 4.718 -2.419 -1.306 0.00 0.00 +0.005 C ATOM 32 C LIG 1 6.089 -2.992 -0.888 0.00 0.00 +0.001 C ATOM 33 C LIG 1 6.364 -1.643 -0.191 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.369 -0.088 -1.271 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.830 1.373 -1.438 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.055 1.682 -2.931 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.771 3.135 -3.318 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.120 4.141 -2.218 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.634 4.244 -2.011 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.390 3.814 -0.903 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.142 2.379 -0.813 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9