REMARK Name = BDB062103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.586 -0.044 1.515 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.431 0.773 1.050 0.00 0.00 -0.324 N ATOM 3 C LIG 1 -1.467 -0.059 0.633 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.008 -1.345 0.879 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -1.812 -2.451 0.568 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.080 -2.235 0.011 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.524 -0.929 -0.233 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.729 0.183 0.072 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.242 -1.315 1.417 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.930 -3.359 -0.323 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -4.348 -4.325 0.566 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -4.133 -4.580 2.004 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -5.143 -5.217 -0.085 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -5.269 -4.848 -1.411 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -4.538 -3.736 -1.550 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -4.444 -3.074 -2.872 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 C LIG 1 -0.522 2.229 0.931 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.175 2.707 -0.490 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -0.464 4.198 -0.667 0.00 0.00 +0.033 C ATOM 20 C LIG 1 0.222 5.059 0.399 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -0.119 4.557 1.807 0.00 0.00 +0.033 C ATOM 22 C LIG 1 0.217 3.076 1.975 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -0.223 6.415 0.324 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 0.369 7.152 -0.738 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 1.910 0.363 2.087 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 2.943 0.773 1.034 0.00 0.00 +0.043 C BRANCH 26 31 ATOM 27 C LIG 1 4.681 -2.577 -1.112 0.00 0.00 +0.138 A ATOM 28 C LIG 1 5.346 -1.998 -0.021 0.00 0.00 +0.083 A ATOM 29 CL LIG 1 6.880 -2.592 0.519 0.00 0.00 -0.080 Cl ATOM 30 C LIG 1 4.786 -0.918 0.671 0.00 0.00 +0.027 A ATOM 31 C LIG 1 3.551 -0.387 0.281 0.00 0.00 -0.045 A ATOM 32 C LIG 1 2.889 -0.963 -0.809 0.00 0.00 +0.007 A ATOM 33 C LIG 1 3.446 -2.047 -1.498 0.00 0.00 +0.047 A BRANCH 27 35 ATOM 34 C LIG 1 4.582 -4.311 -2.749 0.00 0.00 +0.277 C ATOM 35 O LIG 1 5.302 -3.631 -1.730 0.00 0.00 -0.494 OA ENDBRANCH 27 35 ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 7