REMARK Name = BDB051798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.659 0.997 0.291 0.00 0.00 +0.236 C ATOM 2 N LIG 1 3.363 0.558 0.056 0.00 0.00 -0.297 N ATOM 3 C LIG 1 2.947 -0.687 -0.604 0.00 0.00 +0.127 C ATOM 4 C LIG 1 1.675 -1.280 0.016 0.00 0.00 +0.127 C ATOM 5 N LIG 1 0.562 -0.328 0.073 0.00 0.00 -0.294 N ATOM 6 C LIG 1 -0.723 -0.845 0.191 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -0.969 -2.050 0.178 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.905 1.088 -0.113 0.00 0.00 +0.127 C ATOM 9 C LIG 1 2.271 1.441 0.491 0.00 0.00 +0.127 C ATOM 10 O LIG 1 4.844 2.103 0.821 0.00 0.00 -0.274 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.872 0.066 0.289 0.00 0.00 +0.072 A ATOM 12 C LIG 1 -2.049 0.873 1.409 0.00 0.00 +0.135 A ATOM 13 F LIG 1 -1.143 0.886 2.397 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -3.166 1.694 1.511 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -4.128 1.687 0.497 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -3.987 0.844 -0.618 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.843 0.038 -0.719 0.00 0.00 +0.020 A BRANCH 16 18 ATOM 18 C LIG 1 -5.034 0.820 -1.709 0.00 0.00 +0.092 C BRANCH 18 19 ATOM 19 C LIG 1 -6.452 0.584 -1.189 0.00 0.00 +0.069 A ATOM 20 C LIG 1 -6.870 -0.790 -0.743 0.00 0.00 -0.019 A ATOM 21 C LIG 1 -5.903 -1.927 -0.891 0.00 0.00 +0.046 C ATOM 22 C LIG 1 -8.118 -0.903 -0.244 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -8.747 -2.149 0.309 0.00 0.00 +0.050 C ATOM 24 C LIG 1 -9.007 0.294 -0.201 0.00 0.00 +0.268 A ATOM 25 O LIG 1 -10.156 0.233 0.226 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 -8.476 1.462 -0.670 0.00 0.00 -0.243 N ATOM 27 H LIG 1 -9.073 2.282 -0.645 0.00 0.00 +0.192 HD ATOM 28 N LIG 1 -7.220 1.631 -1.149 0.00 0.00 -0.175 NA ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 6 11 BRANCH 1 29 ATOM 29 C LIG 1 5.903 0.107 -0.062 0.00 0.00 +0.100 C ATOM 30 N LIG 1 7.143 0.943 0.083 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 6.933 1.699 0.745 0.00 0.00 +0.123 HD ATOM 32 C LIG 1 7.447 1.495 -1.230 0.00 0.00 +0.082 C ATOM 33 C LIG 1 7.196 0.309 -2.128 0.00 0.00 +0.017 C ATOM 34 C LIG 1 5.929 -0.304 -1.548 0.00 0.00 +0.033 C BRANCH 29 35 ATOM 35 C LIG 1 6.032 -1.103 0.902 0.00 0.00 +0.058 C BRANCH 35 37 ATOM 36 C LIG 1 7.129 -1.053 3.168 0.00 0.00 +0.004 C ATOM 37 C LIG 1 6.095 -0.755 2.371 0.00 0.00 -0.032 C ENDBRANCH 35 37 ENDBRANCH 29 35 ENDBRANCH 1 29 TORSDOF 6