REMARK Name = BDB025345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.381 -1.312 -0.929 0.00 0.00 +0.255 C ATOM 2 N LIG 1 -1.164 -0.623 -0.747 0.00 0.00 -0.202 N ATOM 3 C LIG 1 -0.025 -1.053 -0.095 0.00 0.00 +0.056 A ATOM 4 C LIG 1 0.188 -2.340 0.617 0.00 0.00 +0.075 C ATOM 5 C LIG 1 1.424 -2.203 1.529 0.00 0.00 +0.117 C ATOM 6 N LIG 1 2.546 -1.496 0.887 0.00 0.00 -0.263 N ATOM 7 C LIG 1 2.298 -0.151 0.340 0.00 0.00 +0.151 C ATOM 8 C LIG 1 3.836 -1.896 1.194 0.00 0.00 +0.403 C ATOM 9 O LIG 1 4.112 -2.910 1.823 0.00 0.00 -0.226 OA ATOM 10 C LIG 1 0.929 -0.068 -0.228 0.00 0.00 +0.033 A ATOM 11 C LIG 1 0.286 0.940 -0.960 0.00 0.00 +0.144 A ATOM 12 N LIG 1 -0.961 0.617 -1.279 0.00 0.00 -0.149 NA ATOM 13 O LIG 1 -2.470 -2.475 -0.541 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 21 ATOM 14 C LIG 1 -5.046 1.685 0.985 0.00 0.00 +0.016 A ATOM 15 N LIG 1 -6.037 0.770 0.712 0.00 0.00 -0.361 N ATOM 16 H LIG 1 -6.953 0.755 1.141 0.00 0.00 +0.165 HD ATOM 17 C LIG 1 -5.593 -0.099 -0.245 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -6.403 -1.198 -0.831 0.00 0.00 +0.053 C ATOM 19 C LIG 1 -5.485 -2.183 -1.572 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -4.411 -1.469 -2.421 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -3.491 -0.515 -1.603 0.00 0.00 +0.111 C ATOM 22 C LIG 1 -4.299 0.239 -0.584 0.00 0.00 -0.014 A ATOM 23 C LIG 1 -3.959 1.378 0.187 0.00 0.00 +0.027 A BRANCH 14 25 ATOM 24 C LIG 1 -5.852 4.013 1.354 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -5.235 2.775 1.985 0.00 0.00 +0.050 C ENDBRANCH 14 25 ENDBRANCH 1 21 BRANCH 11 26 ATOM 26 N LIG 1 0.846 2.103 -1.314 0.00 0.00 -0.341 N ATOM 27 H LIG 1 0.339 2.643 -2.008 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 1.851 2.184 -1.415 0.00 0.00 +0.144 HD ENDBRANCH 11 26 BRANCH 8 29 ATOM 29 O LIG 1 4.770 -1.031 0.720 0.00 0.00 -0.445 OA BRANCH 29 30 ATOM 30 C LIG 1 6.117 -1.414 1.007 0.00 0.00 +0.269 C BRANCH 30 31 ATOM 31 C LIG 1 7.022 -0.359 0.425 0.00 0.00 -0.010 A ATOM 32 C LIG 1 7.405 -0.418 -0.923 0.00 0.00 +0.007 A ATOM 33 C LIG 1 8.227 0.569 -1.469 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.668 1.627 -0.677 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.284 1.702 0.661 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.461 0.717 1.209 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 6