REMARK Name = BDB006030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.586 0.117 -1.120 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.095 1.427 -1.176 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -0.252 1.697 -0.900 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.114 0.667 -0.526 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -0.606 -0.631 -0.409 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.729 -0.909 -0.721 0.00 0.00 +0.025 A ENDROOT BRANCH 1 18 ATOM 7 C LIG 1 5.933 -0.402 -0.040 0.00 0.00 +0.176 C ATOM 8 C LIG 1 6.258 -1.812 0.480 0.00 0.00 +0.238 C ATOM 9 O LIG 1 5.754 -2.268 1.510 0.00 0.00 -0.273 OA ATOM 10 N LIG 1 7.340 -2.449 -0.136 0.00 0.00 -0.285 N ATOM 11 C LIG 1 7.042 -3.447 -1.167 0.00 0.00 +0.078 C ATOM 12 C LIG 1 8.285 -4.350 -1.162 0.00 0.00 +0.025 C ATOM 13 C LIG 1 8.654 -4.407 0.307 0.00 0.00 +0.034 C ATOM 14 C LIG 1 6.825 -2.888 -2.573 0.00 0.00 +0.041 C ATOM 15 C LIG 1 5.396 -2.431 -2.871 0.00 0.00 +0.111 C ATOM 16 N LIG 1 4.844 -1.321 -2.097 0.00 0.00 -0.283 N ATOM 17 C LIG 1 3.451 -1.281 -1.965 0.00 0.00 +0.307 C ATOM 18 N LIG 1 2.943 -0.104 -1.452 0.00 0.00 -0.269 N ATOM 19 H LIG 1 3.467 0.734 -1.655 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 2.753 -2.237 -2.307 0.00 0.00 -0.252 OA ATOM 21 C LIG 1 8.352 -2.990 0.796 0.00 0.00 +0.162 C ATOM 22 C LIG 1 5.762 -0.310 -1.562 0.00 0.00 +0.141 C BRANCH 7 24 ATOM 23 C LIG 1 6.776 1.850 0.540 0.00 0.00 +0.230 C ATOM 24 N LIG 1 6.982 0.496 0.448 0.00 0.00 -0.301 N ATOM 25 H LIG 1 7.937 0.135 0.479 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 5.728 2.373 0.158 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 7.974 2.679 1.078 0.00 0.00 +0.137 C ATOM 28 C LIG 1 8.531 2.102 2.377 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 8.472 5.052 0.942 0.00 0.00 +0.101 C ATOM 30 N LIG 1 7.504 4.055 1.355 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 6.624 4.196 0.847 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 7 24 BRANCH 21 32 ATOM 32 C LIG 1 9.574 -2.043 0.820 0.00 0.00 +0.234 C ATOM 33 N LIG 1 10.674 -2.543 1.493 0.00 0.00 -0.310 N ATOM 34 H LIG 1 10.602 -3.431 1.979 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 9.543 -0.905 0.340 0.00 0.00 -0.274 OA BRANCH 33 36 ATOM 36 C LIG 1 11.938 -1.870 1.520 0.00 0.00 +0.081 C ATOM 37 C LIG 1 13.021 -2.271 0.536 0.00 0.00 +0.041 C ATOM 38 C LIG 1 13.170 -2.578 2.007 0.00 0.00 +0.033 C BRANCH 37 39 ATOM 39 C LIG 1 13.900 -1.229 -0.111 0.00 0.00 -0.042 A ATOM 40 C LIG 1 13.354 -0.091 -0.725 0.00 0.00 +0.004 A ATOM 41 C LIG 1 14.169 0.866 -1.337 0.00 0.00 +0.000 A ATOM 42 C LIG 1 15.550 0.698 -1.354 0.00 0.00 +0.000 A ATOM 43 C LIG 1 16.117 -0.428 -0.764 0.00 0.00 +0.000 A ATOM 44 C LIG 1 15.299 -1.383 -0.152 0.00 0.00 +0.004 A ENDBRANCH 37 39 ENDBRANCH 33 36 ENDBRANCH 21 32 ENDBRANCH 1 18 BRANCH 4 45 ATOM 45 N LIG 1 -2.474 0.861 -0.217 0.00 0.00 -0.269 N ATOM 46 H LIG 1 -2.968 0.041 0.087 0.00 0.00 +0.156 HD ATOM 47 C LIG 1 -3.277 1.896 -0.654 0.00 0.00 +0.307 C ATOM 48 N LIG 1 -4.566 1.874 -0.100 0.00 0.00 -0.283 N ATOM 49 C LIG 1 -5.564 2.774 -0.693 0.00 0.00 +0.141 C ATOM 50 C LIG 1 -7.063 2.451 -0.547 0.00 0.00 +0.176 C ATOM 51 C LIG 1 -7.631 1.204 -1.245 0.00 0.00 +0.238 C ATOM 52 O LIG 1 -8.656 1.332 -1.938 0.00 0.00 -0.273 OA ATOM 53 N LIG 1 -7.186 -0.071 -0.957 0.00 0.00 -0.285 N ATOM 54 C LIG 1 -5.916 -0.528 -0.375 0.00 0.00 +0.078 C ATOM 55 C LIG 1 -6.015 -2.064 -0.413 0.00 0.00 +0.025 C ATOM 56 C LIG 1 -6.894 -2.337 -1.620 0.00 0.00 +0.034 C ATOM 57 C LIG 1 -5.622 -0.066 1.055 0.00 0.00 +0.041 C ATOM 58 C LIG 1 -7.911 -1.203 -1.568 0.00 0.00 +0.162 C ATOM 59 C LIG 1 -4.868 1.258 1.183 0.00 0.00 +0.111 C ATOM 60 O LIG 1 -2.945 2.720 -1.506 0.00 0.00 -0.252 OA BRANCH 50 61 ATOM 61 N LIG 1 -7.631 2.490 0.801 0.00 0.00 -0.301 N ATOM 62 H LIG 1 -7.951 1.625 1.216 0.00 0.00 +0.150 HD ATOM 63 C LIG 1 -7.929 3.688 1.428 0.00 0.00 +0.230 C ATOM 64 O LIG 1 -7.566 4.762 0.955 0.00 0.00 -0.274 OA BRANCH 63 65 ATOM 65 C LIG 1 -8.739 3.515 2.743 0.00 0.00 +0.137 C ATOM 66 C LIG 1 -10.094 2.864 2.468 0.00 0.00 +0.034 C BRANCH 65 67 ATOM 67 N LIG 1 -8.846 4.757 3.537 0.00 0.00 -0.309 NA ATOM 68 H LIG 1 -9.235 4.532 4.452 0.00 0.00 +0.122 HD ATOM 69 C LIG 1 -9.669 5.801 2.935 0.00 0.00 +0.101 C ENDBRANCH 65 67 ENDBRANCH 63 65 ENDBRANCH 50 61 BRANCH 58 70 ATOM 70 C LIG 1 -9.134 -1.546 -0.690 0.00 0.00 +0.234 C ATOM 71 N LIG 1 -10.241 -0.757 -0.955 0.00 0.00 -0.310 N ATOM 72 H LIG 1 -10.078 0.075 -1.528 0.00 0.00 +0.149 HD ATOM 73 O LIG 1 -9.095 -2.371 0.222 0.00 0.00 -0.274 OA BRANCH 71 74 ATOM 74 C LIG 1 -11.456 -0.851 -0.203 0.00 0.00 +0.081 C ATOM 75 C LIG 1 -12.781 -0.488 -0.841 0.00 0.00 +0.041 C ATOM 76 C LIG 1 -12.188 0.392 0.231 0.00 0.00 +0.033 C BRANCH 75 77 ATOM 77 C LIG 1 -14.040 -1.299 -0.581 0.00 0.00 -0.042 A ATOM 78 C LIG 1 -15.044 -1.363 -1.564 0.00 0.00 +0.004 A ATOM 79 C LIG 1 -16.215 -2.107 -1.381 0.00 0.00 +0.000 A ATOM 80 C LIG 1 -16.416 -2.810 -0.199 0.00 0.00 +0.000 A ATOM 81 C LIG 1 -15.445 -2.765 0.796 0.00 0.00 +0.000 A ATOM 82 C LIG 1 -14.277 -2.019 0.605 0.00 0.00 +0.004 A ENDBRANCH 75 77 ENDBRANCH 71 74 ENDBRANCH 58 70 ENDBRANCH 4 45 TORSDOF 14