REMARK Name = BDB038412 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.731 -0.048 -2.018 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -2.425 -0.101 -1.665 0.00 0.00 -0.232 NA ATOM 3 C LIG 1 -2.028 0.295 -0.445 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -2.956 0.740 0.491 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -4.319 0.789 0.164 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.694 0.407 -1.128 0.00 0.00 +0.036 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.654 0.240 -0.128 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.342 -0.220 -0.991 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.298 -0.674 -2.119 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.616 -0.076 -0.273 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.357 0.462 0.982 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.393 0.708 1.865 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.695 0.397 1.456 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.956 -0.160 0.180 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.893 -0.394 -0.702 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.106 0.691 1.137 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.379 -0.466 -0.234 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.082 0.770 -0.576 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.492 1.302 -1.215 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.379 0.536 -1.229 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 C LIG 1 8.426 -0.170 -0.344 0.00 0.00 +0.078 C ATOM 22 C LIG 1 9.903 0.126 -0.752 0.00 0.00 +0.036 C ATOM 23 C LIG 1 10.237 0.215 0.748 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.755 0.542 1.002 0.00 0.00 +0.036 C BRANCH 21 25 ATOM 25 O LIG 1 8.125 -1.586 -0.227 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 8.253 -1.948 -1.121 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 27 ATOM 27 C LIG 1 -5.322 1.220 1.161 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.454 0.437 1.513 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -7.384 0.930 2.444 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.189 2.168 3.040 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -8.079 2.620 3.933 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -6.087 2.945 2.722 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.163 2.477 1.786 0.00 0.00 +0.012 A BRANCH 28 34 ATOM 34 C LIG 1 -6.737 -0.869 0.918 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -5.992 -2.015 1.046 0.00 0.00 -0.317 N ATOM 36 C LIG 1 -4.806 -2.234 1.830 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.616 -2.964 0.294 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -7.697 -2.456 -0.244 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 -7.782 -1.145 0.159 0.00 0.00 -0.129 NA ENDBRANCH 28 34 ENDBRANCH 5 27 BRANCH 1 41 ATOM 40 C LIG 1 -3.091 -0.877 -4.250 0.00 0.00 +0.014 C ATOM 41 C LIG 1 -4.062 -0.521 -3.389 0.00 0.00 -0.032 C ATOM 42 C LIG 1 -5.507 -0.615 -3.798 0.00 0.00 +0.045 C ENDBRANCH 1 41 TORSDOF 9