REMARK Name = BDB033851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.451 -0.466 -0.371 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.554 -1.310 -0.810 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.562 -2.238 -0.411 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.355 0.759 -0.428 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.848 -0.740 -1.163 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 C LIG 1 -2.612 -0.367 0.125 0.00 0.00 +0.234 C ATOM 7 N LIG 1 -3.522 0.653 -0.042 0.00 0.00 -0.303 N ATOM 8 H LIG 1 -3.430 1.232 -0.865 0.00 0.00 +0.150 HD ATOM 9 O LIG 1 -2.441 -0.962 1.187 0.00 0.00 -0.274 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.164 1.280 1.105 0.00 0.00 +0.134 C BRANCH 10 11 ATOM 11 C LIG 1 -5.408 0.540 1.588 0.00 0.00 -0.023 A ATOM 12 C LIG 1 -5.878 0.774 2.893 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -7.024 0.133 3.368 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.718 -0.754 2.548 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -7.271 -0.994 1.251 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.129 -0.348 0.772 0.00 0.00 +0.006 A ENDBRANCH 10 11 BRANCH 10 17 ATOM 17 C LIG 1 -4.404 2.749 0.768 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -5.563 3.186 0.104 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -5.721 4.529 -0.244 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.721 5.451 0.053 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.558 5.034 0.699 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.399 3.692 1.050 0.00 0.00 +0.006 A ENDBRANCH 10 17 ENDBRANCH 7 10 ENDBRANCH 5 6 BRANCH 5 23 ATOM 23 C LIG 1 -2.664 -1.648 -2.095 0.00 0.00 +0.032 C BRANCH 23 24 ATOM 24 C LIG 1 -3.462 -2.801 -1.468 0.00 0.00 +0.003 C BRANCH 24 25 ATOM 25 C LIG 1 -2.629 -3.857 -0.739 0.00 0.00 +0.015 C BRANCH 25 26 ATOM 26 C LIG 1 -3.468 -5.049 -0.268 0.00 0.00 +0.077 C BRANCH 26 27 ATOM 27 N LIG 1 -3.976 -5.828 -1.392 0.00 0.00 -0.330 NA ATOM 28 H LIG 1 -3.196 -6.253 -1.895 0.00 0.00 +0.118 HD ATOM 29 H LIG 1 -4.536 -6.602 -1.035 0.00 0.00 +0.118 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 5 23 ENDBRANCH 2 5 BRANCH 1 30 ATOM 30 C LIG 1 1.674 -1.182 0.238 0.00 0.00 +0.162 C BRANCH 30 32 ATOM 31 C LIG 1 4.048 -0.596 -0.142 0.00 0.00 +0.234 C ATOM 32 N LIG 1 2.806 -0.259 0.337 0.00 0.00 -0.302 N ATOM 33 H LIG 1 2.555 0.731 0.314 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 4.266 -1.668 -0.718 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 5.221 0.348 0.219 0.00 0.00 +0.165 C BRANCH 35 37 ATOM 36 C LIG 1 7.664 0.179 -0.204 0.00 0.00 +0.213 C ATOM 37 N LIG 1 6.370 -0.070 -0.595 0.00 0.00 -0.304 N ATOM 38 H LIG 1 6.196 -0.865 -1.206 0.00 0.00 +0.149 HD ATOM 39 O LIG 1 7.948 0.873 0.766 0.00 0.00 -0.276 OA BRANCH 36 41 ATOM 40 C LIG 1 10.113 -0.174 -0.683 0.00 0.00 +0.013 C ATOM 41 C LIG 1 8.688 -0.482 -1.105 0.00 0.00 +0.092 C ENDBRANCH 36 41 ENDBRANCH 35 37 BRANCH 35 42 ATOM 42 C LIG 1 4.946 1.850 0.142 0.00 0.00 +0.087 C BRANCH 42 43 ATOM 43 C LIG 1 4.427 2.306 -1.194 0.00 0.00 +0.044 A ATOM 44 N LIG 1 3.085 2.453 -1.293 0.00 0.00 -0.257 NA ATOM 45 C LIG 1 2.577 2.877 -2.476 0.00 0.00 +0.039 A ATOM 46 C LIG 1 1.088 3.040 -2.566 0.00 0.00 +0.065 C ATOM 47 C LIG 1 3.375 3.121 -3.588 0.00 0.00 +0.023 A ATOM 48 C LIG 1 4.751 2.957 -3.473 0.00 0.00 +0.003 A ATOM 49 C LIG 1 5.290 2.551 -2.258 0.00 0.00 +0.023 A ENDBRANCH 42 43 ENDBRANCH 35 42 ENDBRANCH 31 35 ENDBRANCH 30 32 BRANCH 30 50 ATOM 50 C LIG 1 1.326 -1.810 1.616 0.00 0.00 +0.015 C ATOM 51 C LIG 1 2.437 -2.769 2.064 0.00 0.00 +0.010 C BRANCH 50 52 ATOM 52 C LIG 1 1.034 -0.738 2.689 0.00 0.00 +0.002 C ATOM 53 C LIG 1 0.477 -1.315 3.985 0.00 0.00 +0.004 C ENDBRANCH 50 52 ENDBRANCH 30 50 ENDBRANCH 1 30 TORSDOF 19