REMARK Name = BDB024844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.295 -3.514 -1.896 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.954 -2.453 -1.036 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.011 -1.743 -0.273 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.569 -2.614 0.865 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.572 -0.406 0.345 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.698 0.367 -0.621 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.489 -0.475 -0.906 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.203 0.087 -1.042 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.822 1.407 -0.981 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.523 1.423 -1.205 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.033 0.140 -1.339 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.104 -0.727 -1.287 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.215 -2.111 -1.421 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.503 -2.657 -1.338 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.639 -1.869 -1.094 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.543 -4.069 -2.692 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.073 -4.814 -2.754 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.617 -3.847 -1.812 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.345 -0.254 -1.572 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.076 -0.587 -0.287 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.159 0.220 -0.007 0.00 0.00 -0.313 N ATOM 22 H LIG 1 3.175 1.174 -0.374 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.753 -1.527 0.435 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.989 0.003 1.170 0.00 0.00 +0.110 C BRANCH 24 25 ATOM 25 C LIG 1 4.840 -1.260 1.054 0.00 0.00 +0.074 C BRANCH 25 26 ATOM 26 C LIG 1 5.861 -1.359 2.161 0.00 0.00 +0.043 A ATOM 27 N LIG 1 6.832 -0.415 2.191 0.00 0.00 -0.260 NA ATOM 28 C LIG 1 7.772 -0.523 3.159 0.00 0.00 +0.111 A ATOM 29 C LIG 1 7.799 -1.527 4.106 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.803 -2.493 4.057 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.819 -2.412 3.074 0.00 0.00 +0.023 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 0.288 2.670 -1.312 0.00 0.00 +0.096 C BRANCH 32 33 ATOM 33 C LIG 1 0.529 3.291 0.064 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 N LIG 1 1.467 4.415 -0.012 0.00 0.00 -0.315 N ATOM 35 C LIG 1 2.816 4.133 -0.195 0.00 0.00 +0.251 A ATOM 36 O LIG 1 3.271 2.998 -0.315 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 3.726 5.308 -0.259 0.00 0.00 +0.070 A ATOM 38 C LIG 1 3.225 6.549 -0.203 0.00 0.00 +0.007 A ATOM 39 C LIG 1 1.806 6.762 -0.074 0.00 0.00 +0.018 A ATOM 40 C LIG 1 0.983 5.713 0.020 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 9