REMARK Name = BDB007233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.442 2.105 4.074 0.00 0.00 +0.125 C ATOM 2 C LIG 1 -1.950 3.244 3.176 0.00 0.00 +0.187 C ATOM 3 O LIG 1 -1.661 2.755 1.865 0.00 0.00 -0.349 OA ATOM 4 C LIG 1 -0.690 1.710 1.897 0.00 0.00 +0.254 C ATOM 5 O LIG 1 -1.168 0.594 2.657 0.00 0.00 -0.349 OA ATOM 6 C LIG 1 -1.418 0.969 4.013 0.00 0.00 +0.187 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.905 2.248 3.986 0.00 0.00 +0.237 C ATOM 8 N LIG 1 -3.746 1.625 3.617 0.00 0.00 -0.305 N ATOM 9 H LIG 1 -3.749 1.013 2.807 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -4.990 3.123 4.836 0.00 0.00 -0.271 OA BRANCH 7 12 ATOM 11 C LIG 1 -6.340 1.727 1.997 0.00 0.00 +0.022 C ATOM 12 C LIG 1 -6.112 1.716 3.320 0.00 0.00 +0.066 C BRANCH 11 13 ATOM 13 C LIG 1 -5.478 2.309 0.905 0.00 0.00 +0.198 C ATOM 14 C LIG 1 -6.302 3.315 0.100 0.00 0.00 +0.057 C BRANCH 13 15 ATOM 15 O LIG 1 -5.100 1.194 0.083 0.00 0.00 -0.443 OA BRANCH 15 17 ATOM 16 N LIG 1 -3.780 0.266 -1.527 0.00 0.00 -0.270 N ATOM 17 C LIG 1 -4.090 1.406 -0.802 0.00 0.00 +0.403 C ATOM 18 O LIG 1 -3.525 2.484 -0.946 0.00 0.00 -0.226 OA ATOM 19 C LIG 1 -2.797 0.350 -2.592 0.00 0.00 +0.135 C BRANCH 16 20 ATOM 20 C LIG 1 -4.541 -0.975 -1.405 0.00 0.00 +0.110 C BRANCH 20 22 ATOM 21 C LIG 1 -6.589 -2.252 -2.124 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -5.793 -0.967 -2.282 0.00 0.00 +0.016 C ENDBRANCH 20 22 ENDBRANCH 16 20 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 C LIG 1 -0.440 1.249 0.454 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 0.756 0.336 0.334 0.00 0.00 -0.019 C ATOM 25 C LIG 1 1.951 0.592 -0.237 0.00 0.00 -0.054 C ATOM 26 C LIG 1 2.322 1.919 -0.849 0.00 0.00 +0.043 C BRANCH 25 27 ATOM 27 C LIG 1 2.952 -0.474 -0.260 0.00 0.00 +0.001 C ATOM 28 C LIG 1 4.179 -0.407 -0.802 0.00 0.00 +0.004 C BRANCH 28 29 ATOM 29 C LIG 1 5.161 -1.548 -0.802 0.00 0.00 +0.145 C ATOM 30 O LIG 1 5.572 -1.726 -2.164 0.00 0.00 -0.366 OA ATOM 31 C LIG 1 6.508 -2.801 -2.375 0.00 0.00 +0.067 C ATOM 32 C LIG 1 5.848 -4.167 -2.135 0.00 0.00 +0.041 C ATOM 33 C LIG 1 6.902 -2.716 -3.858 0.00 0.00 +0.041 C ATOM 34 C LIG 1 7.772 -2.604 -1.510 0.00 0.00 +0.072 C ATOM 35 C LIG 1 7.419 -2.277 -0.089 0.00 0.00 +0.098 C ATOM 36 O LIG 1 7.292 -3.407 0.782 0.00 0.00 -0.368 OA ATOM 37 C LIG 1 8.415 -2.541 1.015 0.00 0.00 +0.195 C ATOM 38 C LIG 1 6.369 -1.222 0.083 0.00 0.00 +0.073 C ENDBRANCH 28 29 ENDBRANCH 25 27 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 11