REMARK Name = BDB039081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.947 -3.993 -0.327 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.646 -2.683 0.004 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.238 -2.306 0.010 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.982 -0.823 0.109 0.00 0.00 +0.001 A ATOM 5 C LIG 1 4.035 0.108 0.255 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.770 1.482 0.326 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.464 1.979 0.284 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.425 1.050 0.163 0.00 0.00 +0.071 A ATOM 9 N LIG 1 0.049 1.159 0.076 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.469 -0.123 -0.002 0.00 0.00 +0.200 A ATOM 11 N LIG 1 0.490 -1.015 -0.039 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 5.463 -0.378 0.270 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.664 -0.319 0.076 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.562 -1.825 0.744 0.00 0.00 +0.116 C ATOM 15 O LIG 1 4.126 -4.798 -0.751 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.808 -0.368 -0.067 0.00 0.00 -0.298 N ATOM 17 C LIG 1 -2.556 -0.193 1.202 0.00 0.00 +0.127 C ATOM 18 C LIG 1 -3.206 -1.496 1.705 0.00 0.00 +0.127 C ATOM 19 N LIG 1 -4.066 -2.118 0.692 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -5.161 -2.917 0.962 0.00 0.00 +0.241 C ATOM 21 O LIG 1 -5.869 -3.401 0.074 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 -3.667 -1.908 -0.704 0.00 0.00 +0.127 C ATOM 23 C LIG 1 -2.171 -1.586 -0.836 0.00 0.00 +0.127 C BRANCH 20 24 ATOM 24 C LIG 1 -5.498 -3.197 2.430 0.00 0.00 +0.251 C BRANCH 24 25 ATOM 25 O LIG 1 -6.536 -4.160 2.563 0.00 0.00 -0.386 OA ATOM 26 H LIG 1 -6.905 -4.277 1.662 0.00 0.00 +0.210 HD ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 6.608 -5.638 -0.469 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.260 -4.295 -0.129 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -0.729 2.396 -0.020 0.00 0.00 +0.092 C ATOM 30 C LIG 1 -0.634 3.224 1.266 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -0.371 3.191 -1.292 0.00 0.00 +0.060 C BRANCH 31 32 ATOM 32 C LIG 1 -1.391 4.252 -1.636 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -2.616 3.893 -2.216 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -3.566 4.868 -2.521 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.302 6.209 -2.250 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.087 6.577 -1.676 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.134 5.603 -1.370 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 9 29 TORSDOF 7