REMARK Name = BDB004914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.359 -1.915 -2.000 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -1.076 -1.456 -1.635 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.666 -0.137 -1.881 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.552 0.734 -2.510 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.828 0.300 -2.877 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.230 -1.012 -2.624 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.636 0.220 -1.469 0.00 0.00 -0.281 N ATOM 8 H LIG 1 1.157 -0.505 -0.992 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.234 1.464 -1.560 0.00 0.00 +0.248 C ATOM 10 O LIG 1 0.722 2.497 -1.973 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 2.638 1.524 -1.061 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.081 2.699 -0.450 0.00 0.00 +0.015 A ATOM 13 C LIG 1 4.394 2.797 0.030 0.00 0.00 +0.024 A ATOM 14 C LIG 1 5.297 1.731 -0.083 0.00 0.00 +0.030 A ATOM 15 C LIG 1 4.838 0.570 -0.731 0.00 0.00 +0.024 A ATOM 16 C LIG 1 3.529 0.460 -1.218 0.00 0.00 +0.015 A BRANCH 14 17 ATOM 17 N LIG 1 6.624 1.785 0.369 0.00 0.00 -0.326 N ATOM 18 C LIG 1 6.958 0.758 1.387 0.00 0.00 +0.133 C ATOM 19 C LIG 1 8.477 0.733 1.631 0.00 0.00 +0.178 C ATOM 20 O LIG 1 8.975 2.024 2.014 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 8.697 2.982 0.980 0.00 0.00 +0.178 C ATOM 22 C LIG 1 7.187 3.108 0.724 0.00 0.00 +0.133 C ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -3.968 -3.911 -2.406 0.00 0.00 +0.033 C ATOM 24 C LIG 1 -2.745 -3.352 -1.679 0.00 0.00 +0.099 C BRANCH 24 25 ATOM 25 N LIG 1 -2.850 -3.596 -0.233 0.00 0.00 -0.322 N ATOM 26 H LIG 1 -1.978 -3.997 0.105 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.231 -2.628 0.672 0.00 0.00 +0.126 C ATOM 28 C LIG 1 -4.507 -1.885 0.624 0.00 0.00 +0.018 C ATOM 29 C LIG 1 -4.329 -0.489 1.130 0.00 0.00 +0.175 C ATOM 30 C LIG 1 -5.644 0.254 1.235 0.00 0.00 +0.039 C ATOM 31 C LIG 1 -6.824 -0.297 0.875 0.00 0.00 -0.012 C ATOM 32 C LIG 1 -6.970 -1.701 0.360 0.00 0.00 +0.055 C ATOM 33 N LIG 1 -3.657 -0.532 2.438 0.00 0.00 -0.259 NA ATOM 34 C LIG 1 -2.756 -1.443 2.575 0.00 0.00 +0.218 C ATOM 35 C LIG 1 -5.675 -2.454 0.289 0.00 0.00 -0.013 C ATOM 36 N LIG 1 -2.390 -2.373 1.636 0.00 0.00 -0.221 NA BRANCH 30 37 ATOM 37 C LIG 1 -5.666 1.681 1.665 0.00 0.00 +0.240 C ATOM 38 O LIG 1 -6.626 2.424 1.490 0.00 0.00 -0.271 OA ATOM 39 N LIG 1 -4.547 2.128 2.291 0.00 0.00 -0.326 N ATOM 40 H LIG 1 -3.881 1.456 2.661 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -4.595 3.043 2.716 0.00 0.00 +0.145 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7