REMARK Name = BDB019917 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.220 1.465 0.393 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.971 2.615 0.666 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -2.086 2.973 -0.108 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.413 2.114 -1.174 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.666 0.961 -1.481 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -0.550 0.660 -0.697 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.826 4.099 0.168 0.00 0.00 -0.330 N ATOM 8 C LIG 1 -2.425 5.120 1.137 0.00 0.00 +0.105 C ATOM 9 C LIG 1 -3.342 6.302 0.830 0.00 0.00 +0.020 C ATOM 10 C LIG 1 -4.602 5.634 0.310 0.00 0.00 +0.020 C ATOM 11 C LIG 1 -4.058 4.475 -0.520 0.00 0.00 +0.105 C ENDBRANCH 3 7 BRANCH 1 14 ATOM 12 N LIG 1 1.155 -0.216 1.461 0.00 0.00 -0.304 N ATOM 13 H LIG 1 0.524 -0.896 1.063 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 0.934 1.129 1.267 0.00 0.00 +0.245 C ATOM 15 O LIG 1 1.602 2.019 1.779 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 2.336 -0.724 2.127 0.00 0.00 +0.107 C BRANCH 16 23 ATOM 17 C LIG 1 3.901 -2.608 -2.334 0.00 0.00 +0.047 C ATOM 18 C LIG 1 4.203 -1.958 -1.019 0.00 0.00 -0.015 A ATOM 19 C LIG 1 5.519 -1.701 -0.635 0.00 0.00 +0.126 A ATOM 20 F LIG 1 6.530 -2.012 -1.459 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.812 -1.125 0.595 0.00 0.00 +0.039 A ATOM 22 C LIG 1 4.776 -0.806 1.474 0.00 0.00 +0.008 A ATOM 23 C LIG 1 3.437 -1.065 1.131 0.00 0.00 -0.027 A ATOM 24 C LIG 1 3.168 -1.649 -0.123 0.00 0.00 +0.011 A ENDBRANCH 16 23 BRANCH 16 25 ATOM 25 C LIG 1 1.912 -1.872 3.016 0.00 0.00 +0.014 C ATOM 26 C LIG 1 1.405 -3.193 2.478 0.00 0.00 +0.006 C ATOM 27 C LIG 1 2.708 -3.141 3.229 0.00 0.00 +0.006 C ENDBRANCH 16 25 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 C LIG 1 -2.046 0.081 -2.654 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 N LIG 1 -2.203 -1.305 -2.255 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -1.210 -2.292 -2.310 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -0.017 -2.238 -2.785 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 0.151 -1.321 -3.197 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -1.790 -3.398 -1.684 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -1.082 -4.630 -1.441 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.060 -3.077 -1.233 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -3.313 -1.808 -1.579 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7