REMARK Name = BDB024152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.714 -0.223 -0.059 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.681 0.555 1.248 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.482 -0.099 2.475 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.419 0.627 3.665 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.552 2.014 3.645 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.748 2.677 2.435 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.812 1.954 1.243 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.749 0.074 -0.203 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.590 0.913 0.342 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.306 -0.762 -0.486 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.215 -1.831 -1.096 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.838 -0.212 -0.953 0.00 0.00 +0.048 A ATOM 13 C LIG 1 4.205 0.831 -0.282 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.872 0.912 -0.042 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.100 -0.096 -0.496 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.625 -1.175 -1.189 0.00 0.00 +0.045 A ATOM 17 C LIG 1 4.004 -1.227 -1.419 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 8.264 -0.495 -1.097 0.00 0.00 +0.152 C ATOM 19 C LIG 1 7.048 -1.394 -1.392 0.00 0.00 +0.138 C ATOM 20 N LIG 1 6.225 -0.234 -1.179 0.00 0.00 -0.324 N ATOM 21 C LIG 1 7.237 0.419 -0.398 0.00 0.00 +0.138 C BRANCH 18 23 ATOM 22 C LIG 1 10.371 -0.204 0.072 0.00 0.00 +0.194 C ATOM 23 O LIG 1 9.305 -1.077 -0.276 0.00 0.00 -0.377 OA ENDBRANCH 18 23 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.647 -1.379 0.020 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.234 -2.118 -0.563 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.988 -1.092 -0.498 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.831 -0.176 0.400 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -6.253 -0.063 -0.100 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -6.602 0.919 -1.036 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -7.913 1.011 -1.510 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -8.888 0.119 -1.054 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -8.545 -0.867 -0.124 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.234 -0.958 0.349 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -10.234 0.213 -1.540 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -11.322 0.292 -1.935 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10