REMARK Name = BDB056099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.366 -1.198 0.038 0.00 0.00 +0.138 A ATOM 2 O LIG 1 -3.115 -2.541 0.075 0.00 0.00 -0.437 OA ATOM 3 C LIG 1 -1.839 -2.739 -0.356 0.00 0.00 +0.233 A ATOM 4 C LIG 1 -1.252 -1.523 -0.668 0.00 0.00 +0.080 A ATOM 5 C LIG 1 0.072 -1.557 -1.125 0.00 0.00 +0.133 A ATOM 6 N LIG 1 0.667 -2.769 -1.233 0.00 0.00 -0.220 NA ATOM 7 C LIG 1 -0.028 -3.875 -0.900 0.00 0.00 +0.227 A ATOM 8 N LIG 1 -1.283 -3.953 -0.446 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -2.242 -0.534 -0.416 0.00 0.00 +0.063 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -7.280 0.044 1.286 0.00 0.00 +0.121 A ATOM 11 C LIG 1 -6.332 0.981 0.874 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.056 0.578 0.465 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -4.699 -0.777 0.464 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -5.659 -1.710 0.883 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -6.938 -1.306 1.292 0.00 0.00 +0.046 A BRANCH 10 16 ATOM 16 O LIG 1 -8.481 0.574 1.663 0.00 0.00 -0.492 OA BRANCH 16 17 ATOM 17 C LIG 1 -9.536 -0.343 1.952 0.00 0.00 +0.230 C BRANCH 17 18 ATOM 18 C LIG 1 -10.817 0.434 2.262 0.00 0.00 +0.056 C BRANCH 18 19 ATOM 19 C LIG 1 -11.622 0.833 1.014 0.00 0.00 +0.087 C BRANCH 19 21 ATOM 20 C LIG 1 -11.707 1.802 -1.189 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -10.915 1.669 0.035 0.00 0.00 -0.308 NA ATOM 22 C LIG 1 -10.599 2.995 0.568 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 5 23 ATOM 23 N LIG 1 0.762 -0.399 -1.468 0.00 0.00 -0.328 N ATOM 24 H LIG 1 0.387 0.442 -1.048 0.00 0.00 +0.147 HD BRANCH 23 25 ATOM 25 C LIG 1 2.218 -0.467 -1.548 0.00 0.00 +0.107 C BRANCH 25 26 ATOM 26 C LIG 1 2.863 -0.518 -0.158 0.00 0.00 +0.054 C BRANCH 26 27 ATOM 27 C LIG 1 4.370 -0.517 -0.238 0.00 0.00 -0.046 A ATOM 28 C LIG 1 5.090 0.678 -0.137 0.00 0.00 +0.005 A ATOM 29 C LIG 1 6.487 0.680 -0.231 0.00 0.00 +0.023 A ATOM 30 C LIG 1 7.186 -0.511 -0.425 0.00 0.00 +0.035 A ATOM 31 C LIG 1 6.464 -1.706 -0.538 0.00 0.00 +0.023 A ATOM 32 C LIG 1 5.069 -1.710 -0.446 0.00 0.00 +0.005 A BRANCH 30 33 ATOM 33 N LIG 1 8.589 -0.592 -0.541 0.00 0.00 -0.269 N ATOM 34 H LIG 1 8.968 -1.520 -0.656 0.00 0.00 +0.156 HD ATOM 35 C LIG 1 9.517 0.416 -0.315 0.00 0.00 +0.308 C ATOM 36 N LIG 1 10.789 -0.026 -0.657 0.00 0.00 -0.269 N ATOM 37 H LIG 1 10.826 -0.853 -1.232 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 9.253 1.528 0.121 0.00 0.00 -0.252 OA BRANCH 36 39 ATOM 39 C LIG 1 12.012 0.651 -0.474 0.00 0.00 +0.035 A ATOM 40 C LIG 1 12.151 1.826 0.266 0.00 0.00 +0.023 A ATOM 41 C LIG 1 13.405 2.430 0.410 0.00 0.00 +0.002 A ATOM 42 C LIG 1 14.530 1.862 -0.180 0.00 0.00 +0.000 A ATOM 43 C LIG 1 14.405 0.686 -0.914 0.00 0.00 +0.002 A ATOM 44 C LIG 1 13.153 0.082 -1.058 0.00 0.00 +0.023 A ENDBRANCH 36 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 5 23 TORSDOF 12