REMARK Name = BDB034390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.760 -0.747 -1.938 0.00 0.00 +0.083 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.498 -0.589 -1.214 0.00 0.00 -0.312 NA ATOM 3 H LIG 1 -0.466 0.240 -0.620 0.00 0.00 +0.122 HD BRANCH 2 4 ATOM 4 C LIG 1 -1.632 -0.472 -2.129 0.00 0.00 +0.116 C BRANCH 4 5 ATOM 5 C LIG 1 -2.917 -0.246 -1.369 0.00 0.00 -0.034 A ATOM 6 C LIG 1 -3.440 -1.251 -0.545 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -4.630 -1.047 0.161 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -5.330 0.166 0.066 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -4.797 1.169 -0.759 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -3.607 0.968 -1.467 0.00 0.00 +0.005 A BRANCH 8 11 ATOM 11 C LIG 1 -6.583 0.380 0.809 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -7.656 -0.520 0.693 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -8.846 -0.317 1.397 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -8.983 0.789 2.231 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -7.931 1.693 2.362 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.742 1.489 1.656 0.00 0.00 +0.008 A ENDBRANCH 8 11 ENDBRANCH 4 5 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 1.925 -0.833 -0.950 0.00 0.00 +0.034 C BRANCH 17 18 ATOM 18 C LIG 1 3.246 -1.047 -1.689 0.00 0.00 +0.103 C BRANCH 18 19 ATOM 19 N LIG 1 4.361 -1.116 -0.748 0.00 0.00 -0.343 N ATOM 20 H LIG 1 4.993 -1.883 -0.965 0.00 0.00 +0.146 HD BRANCH 19 26 ATOM 21 CL LIG 1 9.938 -0.373 3.084 0.00 0.00 -0.083 Cl ATOM 22 C LIG 1 8.525 -0.287 2.107 0.00 0.00 +0.043 A ATOM 23 C LIG 1 8.038 0.951 1.698 0.00 0.00 +0.048 A ATOM 24 C LIG 1 6.901 1.054 0.912 0.00 0.00 +0.074 A ATOM 25 C LIG 1 6.224 -0.121 0.500 0.00 0.00 +0.021 A ATOM 26 C LIG 1 5.071 0.023 -0.328 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.629 1.318 -0.603 0.00 0.00 +0.043 A ATOM 28 C LIG 1 5.362 2.396 -0.143 0.00 0.00 +0.113 A ATOM 29 C LIG 1 6.729 -1.370 0.943 0.00 0.00 +0.013 A ATOM 30 N LIG 1 6.487 2.285 0.585 0.00 0.00 -0.255 NA ATOM 31 C LIG 1 7.872 -1.452 1.738 0.00 0.00 +0.021 A ENDBRANCH 19 26 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8