REMARK Name = BDB048083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.164 -1.720 1.591 0.00 0.00 +0.156 C ATOM 2 CB LIG 1 -0.804 -1.844 2.966 0.00 0.00 +0.038 C ENDROOT BRANCH 1 3 ATOM 3 N LIG 1 1.289 -1.672 1.707 0.00 0.00 -0.303 N ATOM 4 H LIG 1 1.654 -0.845 2.167 0.00 0.00 +0.149 HD ATOM 5 C LIG 1 2.093 -2.243 0.742 0.00 0.00 +0.234 C ATOM 6 O LIG 1 1.672 -3.024 -0.110 0.00 0.00 -0.274 OA BRANCH 5 7 ATOM 7 CA LIG 1 3.555 -1.764 0.765 0.00 0.00 +0.163 C BRANCH 7 8 ATOM 8 N LIG 1 4.391 -2.879 0.321 0.00 0.00 -0.300 N ATOM 9 H LIG 1 4.074 -3.338 -0.525 0.00 0.00 +0.150 HD ATOM 10 C LIG 1 5.065 -3.658 1.239 0.00 0.00 +0.245 C ATOM 11 O LIG 1 5.090 -3.406 2.440 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.770 -4.861 0.709 0.00 0.00 +0.037 A ATOM 13 C LIG 1 6.092 -5.009 -0.642 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.775 -6.151 -1.087 0.00 0.00 +0.005 A ATOM 15 C LIG 1 7.162 -7.168 -0.198 0.00 0.00 -0.042 A ATOM 16 C LIG 1 6.845 -6.989 1.162 0.00 0.00 +0.005 A ATOM 17 C LIG 1 6.159 -5.855 1.610 0.00 0.00 +0.013 A BRANCH 15 18 ATOM 18 C LIG 1 7.926 -8.425 -0.655 0.00 0.00 -0.013 C ATOM 19 C LIG 1 7.172 -9.697 -0.210 0.00 0.00 +0.015 C ATOM 20 C LIG 1 9.333 -8.419 -0.022 0.00 0.00 +0.015 C ATOM 21 C LIG 1 8.108 -8.521 -2.187 0.00 0.00 +0.015 C ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 7 8 BRANCH 7 22 ATOM 22 C LIG 1 3.670 -0.551 -0.171 0.00 0.00 +0.067 C BRANCH 22 23 ATOM 23 C LIG 1 4.965 0.206 0.007 0.00 0.00 -0.045 A ATOM 24 C LIG 1 5.044 1.261 0.925 0.00 0.00 +0.004 A ATOM 25 C LIG 1 6.245 1.947 1.113 0.00 0.00 +0.005 A ATOM 26 C LIG 1 7.392 1.587 0.392 0.00 0.00 -0.030 A ATOM 27 C LIG 1 7.310 0.536 -0.530 0.00 0.00 +0.005 A ATOM 28 C LIG 1 6.108 -0.149 -0.719 0.00 0.00 +0.004 A BRANCH 26 29 ATOM 29 C LIG 1 8.681 2.337 0.602 0.00 0.00 +0.142 C BRANCH 29 30 ATOM 30 N LIG 1 8.638 3.620 -0.048 0.00 0.00 -0.277 N ATOM 31 H LIG 1 8.428 3.677 -1.034 0.00 0.00 +0.152 HD ATOM 32 C LIG 1 8.744 4.797 0.620 0.00 0.00 +0.401 C ATOM 33 O LIG 1 8.933 4.910 1.820 0.00 0.00 -0.226 OA BRANCH 32 34 ATOM 34 O LIG 1 8.604 5.811 -0.264 0.00 0.00 -0.445 OA BRANCH 34 35 ATOM 35 C LIG 1 8.671 7.192 0.176 0.00 0.00 +0.107 C ATOM 36 C LIG 1 7.522 7.524 1.135 0.00 0.00 +0.055 C ATOM 37 C LIG 1 10.038 7.524 0.783 0.00 0.00 +0.055 C ATOM 38 C LIG 1 8.494 8.018 -1.106 0.00 0.00 +0.055 C ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 7 22 ENDBRANCH 5 7 ENDBRANCH 1 3 BRANCH 1 41 ATOM 39 N LIG 1 -1.920 -0.408 0.476 0.00 0.00 -0.302 N ATOM 40 H LIG 1 -2.531 -1.202 0.656 0.00 0.00 +0.150 HD ATOM 41 C LIG 1 -0.615 -0.415 0.903 0.00 0.00 +0.234 C ATOM 42 O LIG 1 0.130 0.557 0.776 0.00 0.00 -0.274 OA BRANCH 39 43 ATOM 43 CA LIG 1 -2.530 0.750 -0.162 0.00 0.00 +0.159 C BRANCH 43 46 ATOM 44 N LIG 1 -4.739 1.828 -0.257 0.00 0.00 -0.302 N ATOM 45 H LIG 1 -4.269 2.501 -0.854 0.00 0.00 +0.150 HD ATOM 46 C LIG 1 -4.056 0.664 0.023 0.00 0.00 +0.234 C ATOM 47 O LIG 1 -4.612 -0.368 0.402 0.00 0.00 -0.274 OA BRANCH 44 48 ATOM 48 CA LIG 1 -6.194 1.826 -0.359 0.00 0.00 +0.159 C BRANCH 48 49 ATOM 49 C LIG 1 -6.548 1.649 -1.851 0.00 0.00 +0.234 C ATOM 50 N LIG 1 -7.811 1.149 -2.087 0.00 0.00 -0.299 N ATOM 51 H LIG 1 -8.484 1.229 -1.332 0.00 0.00 +0.150 HD ATOM 52 O LIG 1 -5.777 1.974 -2.751 0.00 0.00 -0.274 OA BRANCH 50 53 ATOM 53 CA LIG 1 -8.374 1.171 -3.445 0.00 0.00 +0.207 C BRANCH 53 54 ATOM 54 C LIG 1 -9.152 2.479 -3.590 0.00 0.00 +0.330 C ATOM 55 O LIG 1 -9.733 3.029 -2.659 0.00 0.00 -0.249 OA BRANCH 54 56 ATOM 56 O LIG 1 -9.119 2.929 -4.874 0.00 0.00 -0.467 OA ATOM 57 C LIG 1 -9.840 4.141 -5.093 0.00 0.00 +0.280 C ENDBRANCH 54 56 ENDBRANCH 53 54 BRANCH 53 58 ATOM 58 C LIG 1 -9.327 -0.005 -3.665 0.00 0.00 +0.189 C BRANCH 58 59 ATOM 59 O LIG 1 -9.467 -0.319 -5.049 0.00 0.00 -0.393 OA ATOM 60 H LIG 1 -8.618 -0.681 -5.359 0.00 0.00 +0.209 HD ENDBRANCH 58 59 ENDBRANCH 53 58 ENDBRANCH 50 53 ENDBRANCH 48 49 BRANCH 48 61 ATOM 61 CB LIG 1 -6.794 3.140 0.155 0.00 0.00 +0.032 C BRANCH 61 62 ATOM 62 CG LIG 1 -6.470 3.465 1.619 0.00 0.00 +0.004 C BRANCH 62 63 ATOM 63 CD LIG 1 -6.861 2.391 2.642 0.00 0.00 +0.015 C BRANCH 63 64 ATOM 64 CE LIG 1 -8.359 2.055 2.622 0.00 0.00 +0.084 C BRANCH 64 65 ATOM 65 NZ LIG 1 -8.791 1.186 3.731 0.00 0.00 -0.303 NA BRANCH 65 66 ATOM 66 C LIG 1 -10.260 1.064 3.728 0.00 0.00 +0.081 C ATOM 67 C LIG 1 -10.828 0.410 4.983 0.00 0.00 +0.020 C ENDBRANCH 65 66 BRANCH 65 69 ATOM 68 C LIG 1 -8.251 -1.032 2.597 0.00 0.00 +0.020 C ATOM 69 C LIG 1 -8.086 -0.105 3.797 0.00 0.00 +0.081 C ENDBRANCH 65 69 ENDBRANCH 64 65 ENDBRANCH 63 64 ENDBRANCH 62 63 ENDBRANCH 61 62 ENDBRANCH 48 61 ENDBRANCH 44 48 ENDBRANCH 43 46 BRANCH 43 70 ATOM 70 CB LIG 1 -2.121 0.915 -1.637 0.00 0.00 +0.034 C BRANCH 70 71 ATOM 71 CG LIG 1 -2.710 -0.100 -2.643 0.00 0.00 -0.015 C ATOM 72 CD2 LIG 1 -2.202 -1.526 -2.432 0.00 0.00 +0.007 C ATOM 73 CD1 LIG 1 -2.377 0.350 -4.070 0.00 0.00 +0.007 C ENDBRANCH 70 71 ENDBRANCH 43 70 ENDBRANCH 39 43 ENDBRANCH 1 41 TORSDOF 30