REMARK Name = BDB000304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.520 -0.576 -0.343 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -1.404 0.232 -0.044 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.088 -0.239 -0.188 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.046 0.549 0.150 0.00 0.00 -0.263 N ATOM 5 C LIG 1 2.325 0.133 -0.216 0.00 0.00 +0.268 C ATOM 6 C LIG 1 2.421 -1.231 -0.961 0.00 0.00 +0.208 C ATOM 7 O LIG 1 1.309 -2.122 -0.867 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 2.559 -0.891 -2.460 0.00 0.00 +0.071 C ATOM 9 O LIG 1 3.317 0.851 -0.044 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.093 -1.537 -0.675 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -1.001 -2.353 -0.969 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -2.299 -1.876 -0.808 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.524 0.061 1.052 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -3.887 -0.059 -0.183 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -4.658 0.352 -1.272 0.00 0.00 +0.129 A ATOM 16 N LIG 1 -5.909 0.823 -1.165 0.00 0.00 -0.199 NA ATOM 17 C LIG 1 -6.413 0.917 0.063 0.00 0.00 +0.214 A ATOM 18 N LIG 1 -5.783 0.543 1.176 0.00 0.00 -0.219 NA BRANCH 15 19 ATOM 19 N LIG 1 -4.186 0.253 -2.586 0.00 0.00 -0.343 N ATOM 20 H LIG 1 -3.278 0.688 -2.698 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 -4.889 0.667 -3.193 0.00 0.00 +0.144 HD ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 -7.700 1.394 0.193 0.00 0.00 -0.327 N ATOM 23 H LIG 1 -8.106 1.043 1.049 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -8.212 1.231 -0.663 0.00 0.00 +0.145 HD ENDBRANCH 17 22 BRANCH 13 26 ATOM 25 C LIG 1 -4.163 -1.851 2.638 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -3.891 -0.382 2.349 0.00 0.00 +0.053 C ENDBRANCH 13 26 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 3.611 -2.025 -0.393 0.00 0.00 +0.004 A ATOM 28 C LIG 1 3.485 -2.630 0.875 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.539 -3.349 1.443 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.743 -3.474 0.758 0.00 0.00 +0.000 A ATOM 31 C LIG 1 5.894 -2.879 -0.491 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.839 -2.159 -1.062 0.00 0.00 +0.008 A ENDBRANCH 6 27 BRANCH 4 33 ATOM 33 C LIG 1 0.909 1.826 0.867 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 C LIG 1 0.957 3.039 -0.076 0.00 0.00 +0.123 C BRANCH 34 35 ATOM 35 N LIG 1 2.322 3.445 -0.369 0.00 0.00 -0.314 N ATOM 36 H LIG 1 2.914 2.731 -0.789 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 2.978 4.319 0.473 0.00 0.00 +0.210 C ATOM 38 O LIG 1 2.428 4.921 1.390 0.00 0.00 -0.276 OA ATOM 39 C LIG 1 4.448 4.459 0.184 0.00 0.00 +0.109 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8