REMARK Name = BDB057938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.793 -0.688 0.145 0.00 0.00 +0.134 A ATOM 2 C LIG 1 3.272 0.592 -0.053 0.00 0.00 +0.076 A ATOM 3 C LIG 1 1.879 0.751 -0.009 0.00 0.00 +0.095 A ATOM 4 N LIG 1 1.147 1.886 -0.203 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -0.111 1.550 -0.039 0.00 0.00 +0.208 A ATOM 6 N LIG 1 -0.232 0.174 0.190 0.00 0.00 -0.280 N ATOM 7 C LIG 1 1.058 -0.342 0.258 0.00 0.00 +0.075 A ATOM 8 C LIG 1 1.583 -1.633 0.448 0.00 0.00 +0.032 A ATOM 9 C LIG 1 2.973 -1.783 0.407 0.00 0.00 +0.048 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.444 -0.559 0.322 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -1.574 -1.530 1.321 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -2.771 -2.238 1.452 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -3.846 -1.989 0.588 0.00 0.00 -0.047 A ATOM 14 C LIG 1 -3.702 -1.026 -0.419 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.510 -0.312 -0.553 0.00 0.00 +0.026 A BRANCH 13 16 ATOM 16 C LIG 1 -5.128 -2.774 0.717 0.00 0.00 +0.037 C BRANCH 16 17 ATOM 17 C LIG 1 -5.151 -3.977 -0.223 0.00 0.00 +0.032 C BRANCH 17 18 ATOM 18 C LIG 1 -6.437 -4.776 -0.070 0.00 0.00 +0.156 C BRANCH 18 19 ATOM 19 O LIG 1 -6.450 -5.854 -0.996 0.00 0.00 -0.395 OA ATOM 20 H LIG 1 -5.681 -6.418 -0.805 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 5 21 ATOM 21 N LIG 1 -1.191 2.414 -0.001 0.00 0.00 -0.252 N ATOM 22 H LIG 1 -2.080 2.038 0.293 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 -1.055 3.777 -0.171 0.00 0.00 +0.250 C ATOM 24 O LIG 1 -0.033 4.413 -0.389 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -2.325 4.546 -0.042 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -2.276 5.812 0.555 0.00 0.00 +0.045 A ATOM 27 C LIG 1 -3.454 6.558 0.678 0.00 0.00 +0.127 A ATOM 28 C LIG 1 -4.673 6.054 0.204 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -4.712 4.798 -0.405 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -3.541 4.046 -0.532 0.00 0.00 +0.013 A BRANCH 27 31 ATOM 31 N LIG 1 -3.416 7.880 1.315 0.00 0.00 +0.056 N ATOM 32 O LIG 1 -4.443 8.572 1.261 0.00 0.00 -0.126 OA ATOM 33 O LIG 1 -2.366 8.221 1.876 0.00 0.00 -0.126 OA ENDBRANCH 27 31 ENDBRANCH 23 25 ENDBRANCH 5 21 BRANCH 1 34 ATOM 34 O LIG 1 5.190 -0.812 0.142 0.00 0.00 -0.425 OA BRANCH 34 35 ATOM 35 C LIG 1 5.736 -1.669 -0.814 0.00 0.00 +0.318 C ATOM 36 O LIG 1 5.101 -2.325 -1.631 0.00 0.00 -0.250 OA BRANCH 35 38 ATOM 37 C LIG 1 7.803 -0.255 -0.917 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.264 -1.674 -0.690 0.00 0.00 +0.060 C ATOM 39 C LIG 1 7.860 -2.610 -1.754 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.663 -2.183 0.701 0.00 0.00 +0.022 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 11