REMARK Name = BDB039092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.177 -1.849 -1.410 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.890 -2.325 -1.237 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.836 -1.337 -1.032 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.515 -1.908 -0.581 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.311 -3.300 -0.441 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.078 -3.802 -0.005 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.002 -2.955 0.279 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -1.207 -1.579 0.118 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.398 -0.468 0.303 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -1.142 0.651 -0.030 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.365 0.306 -0.384 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.452 -4.250 -0.706 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.425 -1.058 -0.301 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.473 -3.652 -1.671 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -7.503 -0.677 -1.255 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.668 2.078 0.003 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.750 2.719 -1.397 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.053 4.222 -1.374 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -0.462 4.942 -0.162 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -0.909 4.314 1.169 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.459 2.891 1.032 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 1.049 4.997 -0.282 0.00 0.00 +0.308 C ATOM 23 O LIG 1 1.856 4.215 0.194 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 1.466 6.034 -1.034 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 2.442 5.953 -1.043 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 -9.395 -2.373 -1.952 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -8.053 -2.827 -1.773 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 0.997 -0.531 0.775 0.00 0.00 +0.086 C ATOM 29 C LIG 1 1.159 0.160 2.130 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 1.986 -0.134 -0.349 0.00 0.00 +0.031 C BRANCH 30 31 ATOM 31 C LIG 1 3.522 -0.315 -0.116 0.00 0.00 -0.030 C ATOM 32 C LIG 1 4.103 0.847 0.737 0.00 0.00 +0.009 C ATOM 33 C LIG 1 5.105 0.403 1.807 0.00 0.00 +0.032 C ATOM 34 C LIG 1 6.079 -0.652 1.284 0.00 0.00 +0.118 C ATOM 35 C LIG 1 5.339 -1.904 0.786 0.00 0.00 +0.032 C ATOM 36 C LIG 1 3.848 -1.684 0.518 0.00 0.00 +0.009 C ATOM 37 C LIG 1 4.177 -0.246 -1.524 0.00 0.00 +0.011 C BRANCH 34 38 ATOM 38 O LIG 1 6.983 -1.076 2.310 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 8.044 -0.161 2.550 0.00 0.00 +0.194 C ENDBRANCH 34 38 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8