REMARK Name = BDB045392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.377 0.550 0.190 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.872 1.399 1.177 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.609 1.981 1.042 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.178 1.718 -0.086 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -0.339 0.870 -1.077 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.605 0.289 -0.940 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.557 2.341 -0.262 0.00 0.00 +0.050 C ATOM 8 C LIG 1 2.528 1.989 0.899 0.00 0.00 +0.140 C ATOM 9 C LIG 1 3.221 3.252 1.452 0.00 0.00 +0.113 C ATOM 10 N LIG 1 3.807 4.077 0.388 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 4.511 3.498 -0.080 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 2.821 4.498 -0.611 0.00 0.00 +0.081 C ATOM 13 C LIG 1 1.438 3.860 -0.463 0.00 0.00 +0.026 C BRANCH 8 14 ATOM 14 O LIG 1 3.568 1.109 0.426 0.00 0.00 -0.370 OA BRANCH 14 15 ATOM 15 C LIG 1 3.166 -0.261 0.392 0.00 0.00 +0.195 C BRANCH 15 16 ATOM 16 C LIG 1 4.296 -1.117 -0.126 0.00 0.00 -0.021 A ATOM 17 C LIG 1 5.629 -0.844 0.217 0.00 0.00 +0.014 A ATOM 18 C LIG 1 6.682 -1.659 -0.232 0.00 0.00 -0.018 A ATOM 19 C LIG 1 6.392 -2.784 -1.036 0.00 0.00 -0.018 A ATOM 20 C LIG 1 7.444 -3.599 -1.484 0.00 0.00 +0.008 A ATOM 21 C LIG 1 8.766 -3.308 -1.144 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.053 -2.200 -0.352 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.057 -3.063 -1.366 0.00 0.00 +0.009 A ATOM 24 C LIG 1 8.018 -1.381 0.102 0.00 0.00 +0.008 A ATOM 25 C LIG 1 4.021 -2.242 -0.912 0.00 0.00 +0.006 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 -3.623 0.052 0.452 0.00 0.00 -0.483 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.192 -0.817 -0.526 0.00 0.00 +0.327 C BRANCH 27 30 ATOM 28 C LIG 1 -7.553 -1.585 0.412 0.00 0.00 +0.204 A ATOM 29 N LIG 1 -6.728 -0.867 -0.429 0.00 0.00 -0.188 NA ATOM 30 C LIG 1 -5.528 -1.221 -0.024 0.00 0.00 +0.265 A ATOM 31 O LIG 1 -5.551 -2.124 0.997 0.00 0.00 -0.334 OA ATOM 32 N LIG 1 -6.892 -2.367 1.282 0.00 0.00 -0.056 NA BRANCH 28 35 ATOM 33 C LIG 1 -11.023 -0.592 -0.633 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -9.631 -0.654 -0.585 0.00 0.00 +0.014 A ATOM 35 C LIG 1 -9.001 -1.497 0.337 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -9.822 -2.244 1.175 0.00 0.00 +0.122 A ATOM 37 N LIG 1 -11.180 -2.206 1.151 0.00 0.00 -0.263 NA ATOM 38 C LIG 1 -11.747 -1.379 0.246 0.00 0.00 +0.111 A ENDBRANCH 28 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8