REMARK Name = BDB058779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.173 -1.462 -0.147 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 0.164 -0.266 -0.909 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -0.991 0.569 -0.857 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -0.955 1.788 -1.581 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 0.143 2.173 -2.352 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 1.250 1.349 -2.421 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -2.134 0.176 -0.084 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -2.050 -0.988 0.686 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 1.258 0.150 -1.710 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -0.922 -1.801 0.646 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N ASP A 1 -3.266 1.018 -0.047 0.00 0.00 -0.331 N ATOM 12 H ASP A 1 -3.457 1.357 -0.992 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA ASP A 1 -4.531 0.610 0.615 0.00 0.00 +0.190 C BRANCH 13 14 ATOM 14 C ASP A 1 -5.318 -0.336 -0.297 0.00 0.00 +0.326 C ATOM 15 O ASP A 1 -5.879 -0.016 -1.337 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT ASP A 1 -5.312 -1.617 0.117 0.00 0.00 -0.479 OA ATOM 17 HXT ASP A 1 -5.856 -2.097 -0.541 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB ASP A 1 -5.357 1.882 0.846 0.00 0.00 +0.154 C BRANCH 18 19 ATOM 19 CG ASP A 1 -6.581 1.587 1.669 0.00 0.00 +0.307 C ATOM 20 OD1 ASP A 1 -6.898 0.484 2.083 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 OD2 ASP A 1 -7.321 2.692 1.914 0.00 0.00 -0.481 OA ATOM 22 HD2 ASP A 1 -6.964 3.513 1.525 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 23 ATOM 23 N UNK A 0 1.278 -2.379 -0.112 0.00 0.00 -0.192 N BRANCH 23 24 ATOM 24 S UNK A 0 2.350 -2.345 1.196 0.00 0.00 +0.075 S ATOM 25 O UNK A 0 3.264 -3.462 1.065 0.00 0.00 -0.150 OA ATOM 26 O UNK A 0 1.617 -2.132 2.427 0.00 0.00 -0.150 OA BRANCH 24 30 ATOM 27 C UNK A 0 4.794 1.451 0.448 0.00 0.00 +0.120 A ATOM 28 C UNK A 0 5.235 0.218 -0.045 0.00 0.00 +0.047 A ATOM 29 C UNK A 0 4.500 -0.947 0.182 0.00 0.00 +0.032 A ATOM 30 C UNK A 0 3.303 -0.869 0.897 0.00 0.00 +0.109 A ATOM 31 C UNK A 0 2.866 0.352 1.420 0.00 0.00 +0.032 A ATOM 32 C UNK A 0 3.610 1.513 1.186 0.00 0.00 +0.047 A BRANCH 27 34 ATOM 33 C UNK A 0 5.219 3.782 0.643 0.00 0.00 +0.277 C ATOM 34 O UNK A 0 5.606 2.509 0.142 0.00 0.00 -0.495 OA ENDBRANCH 27 34 ENDBRANCH 24 30 ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C UNK A 0 1.678 -3.093 -1.337 0.00 0.00 +0.251 C BRANCH 35 36 ATOM 36 C UNK A 0 1.735 -4.595 -1.164 0.00 0.00 +0.324 C ATOM 37 O UNK A 0 2.412 -5.356 -1.840 0.00 0.00 -0.249 OA BRANCH 36 38 ATOM 38 O UNK A 0 0.898 -5.085 -0.227 0.00 0.00 -0.479 OA ATOM 39 H UNK A 0 1.094 -6.044 -0.203 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 1 23 TORSDOF 14