REMARK Name = BDB017505 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.628 1.564 -0.174 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.119 0.499 -0.916 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.472 0.259 -1.218 0.00 0.00 +0.040 A ATOM 4 C LIG 1 2.606 -0.903 -1.981 0.00 0.00 -0.016 A ATOM 5 C LIG 1 3.858 -1.350 -2.388 0.00 0.00 +0.006 A ATOM 6 C LIG 1 4.985 -0.614 -2.019 0.00 0.00 +0.004 A ATOM 7 C LIG 1 4.862 0.566 -1.260 0.00 0.00 -0.041 A ATOM 8 C LIG 1 1.261 -1.520 -2.283 0.00 0.00 +0.034 C ATOM 9 C LIG 1 1.189 -2.982 -1.822 0.00 0.00 +0.020 C ATOM 10 C LIG 1 3.587 1.000 -0.857 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.320 -0.631 -1.430 0.00 0.00 +0.127 C ATOM 12 O LIG 1 1.326 2.460 0.310 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 -0.899 1.623 0.022 0.00 0.00 +0.181 C BRANCH 13 20 ATOM 14 C LIG 1 -0.699 -0.039 4.677 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.321 -0.297 3.306 0.00 0.00 +0.065 C ATOM 16 N LIG 1 -2.783 -0.245 3.432 0.00 0.00 -0.311 NA ATOM 17 H LIG 1 -3.100 -0.980 4.062 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -3.395 -0.447 2.109 0.00 0.00 +0.101 C ATOM 19 C LIG 1 -2.889 0.542 1.009 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -1.391 0.545 0.919 0.00 0.00 -0.287 NA ATOM 21 C LIG 1 -0.812 0.738 2.275 0.00 0.00 +0.103 C BRANCH 19 22 ATOM 22 C LIG 1 -3.551 0.141 -0.353 0.00 0.00 +0.105 C BRANCH 22 23 ATOM 23 N LIG 1 -5.030 0.075 -0.315 0.00 0.00 -0.294 NA ATOM 24 C LIG 1 -5.695 1.304 -0.838 0.00 0.00 +0.079 C ATOM 25 C LIG 1 -5.353 2.564 -0.040 0.00 0.00 +0.026 C ATOM 26 C LIG 1 -7.235 1.125 -0.839 0.00 0.00 +0.178 C ATOM 27 O LIG 1 -7.634 -0.005 -1.624 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -7.034 -1.194 -1.103 0.00 0.00 +0.175 C ATOM 29 C LIG 1 -5.504 -1.084 -1.110 0.00 0.00 +0.113 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 7 30 ATOM 30 C LIG 1 6.091 1.345 -0.852 0.00 0.00 +0.070 C BRANCH 30 31 ATOM 31 C LIG 1 6.787 0.778 0.365 0.00 0.00 -0.043 A ATOM 32 C LIG 1 6.274 1.017 1.650 0.00 0.00 +0.007 A ATOM 33 C LIG 1 6.908 0.485 2.774 0.00 0.00 +0.038 A ATOM 34 C LIG 1 8.053 -0.287 2.613 0.00 0.00 +0.123 A ATOM 35 F LIG 1 8.662 -0.796 3.692 0.00 0.00 -0.205 F ATOM 36 C LIG 1 8.575 -0.538 1.351 0.00 0.00 +0.038 A ATOM 37 C LIG 1 7.942 -0.008 0.225 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 7 30 BRANCH 8 38 ATOM 38 C LIG 1 0.926 -1.384 -3.779 0.00 0.00 +0.168 C BRANCH 38 39 ATOM 39 O LIG 1 -0.376 -1.888 -4.069 0.00 0.00 -0.394 OA ATOM 40 H LIG 1 -0.294 -2.847 -4.214 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 8