REMARK Name = BDB022265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.361 4.456 -0.297 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -2.805 3.075 -0.400 0.00 0.00 -0.311 N ATOM 3 C LIG 1 -1.945 2.012 0.003 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -2.381 0.681 -0.118 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.489 -0.359 0.227 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.201 -0.112 0.724 0.00 0.00 +0.032 A ATOM 7 C LIG 1 0.197 1.215 0.861 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.748 0.381 -0.625 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -4.498 1.421 -1.011 0.00 0.00 +0.093 A ATOM 10 C LIG 1 -0.658 2.263 0.504 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -4.060 2.831 -0.931 0.00 0.00 +0.253 A ATOM 12 O LIG 1 -4.833 3.704 -1.322 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 0.639 -1.206 1.010 0.00 0.00 -0.313 N ATOM 14 H LIG 1 0.115 -2.054 1.217 0.00 0.00 +0.152 HD BRANCH 13 15 ATOM 15 C LIG 1 2.046 -1.337 1.028 0.00 0.00 +0.054 A ATOM 16 C LIG 1 2.674 -2.289 1.852 0.00 0.00 +0.110 A ATOM 17 C LIG 1 4.062 -2.333 1.859 0.00 0.00 +0.149 A ATOM 18 CL LIG 1 4.966 -3.445 2.815 0.00 0.00 -0.061 Cl ATOM 19 N LIG 1 4.861 -1.522 1.134 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 4.250 -0.606 0.350 0.00 0.00 +0.129 A ATOM 21 C LIG 1 2.865 -0.488 0.272 0.00 0.00 +0.057 A BRANCH 20 22 ATOM 22 C LIG 1 5.104 0.309 -0.478 0.00 0.00 +0.265 C ATOM 23 N LIG 1 6.473 0.255 -0.339 0.00 0.00 -0.291 N ATOM 24 C LIG 1 7.426 1.250 -0.829 0.00 0.00 +0.144 C ATOM 25 C LIG 1 8.425 0.648 0.141 0.00 0.00 +0.103 C ATOM 26 O LIG 1 9.282 1.473 0.946 0.00 0.00 -0.370 OA ATOM 27 C LIG 1 10.447 0.810 0.390 0.00 0.00 +0.163 C ATOM 28 C LIG 1 9.579 -0.111 -0.475 0.00 0.00 +0.066 C ATOM 29 C LIG 1 7.323 -0.192 0.761 0.00 0.00 +0.144 C ATOM 30 O LIG 1 4.565 1.079 -1.272 0.00 0.00 -0.268 OA ENDBRANCH 20 22 BRANCH 16 31 ATOM 31 C LIG 1 1.911 -3.186 2.660 0.00 0.00 +0.104 C ATOM 32 N LIG 1 1.250 -3.906 3.285 0.00 0.00 -0.191 NA ENDBRANCH 16 31 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 8 33 ATOM 33 N LIG 1 -4.137 -0.963 -0.618 0.00 0.00 -0.331 N ATOM 34 H LIG 1 -4.032 -1.311 0.339 0.00 0.00 +0.147 HD BRANCH 33 35 ATOM 35 C LIG 1 -5.380 -1.562 -1.181 0.00 0.00 +0.086 C ATOM 36 C LIG 1 -5.442 -1.317 -2.701 0.00 0.00 +0.039 C ATOM 37 C LIG 1 -5.269 -3.089 -0.970 0.00 0.00 +0.039 C BRANCH 35 38 ATOM 38 C LIG 1 -6.636 -1.090 -0.426 0.00 0.00 +0.151 A ATOM 39 N LIG 1 -7.723 -0.717 -1.135 0.00 0.00 -0.238 NA ATOM 40 C LIG 1 -8.789 -0.291 -0.431 0.00 0.00 +0.114 A ATOM 41 C LIG 1 -8.819 -0.232 0.941 0.00 0.00 +0.039 A ATOM 42 C LIG 1 -7.674 -0.645 1.577 0.00 0.00 +0.114 A ATOM 43 N LIG 1 -6.579 -1.081 0.928 0.00 0.00 -0.238 NA ENDBRANCH 35 38 ENDBRANCH 33 35 ENDBRANCH 8 33 TORSDOF 7