REMARK Name = BDB026975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.461 -0.610 0.021 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.489 -1.376 1.333 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.126 -2.627 1.382 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.174 -3.359 2.567 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.601 -2.843 3.725 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.991 -1.591 3.701 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.941 -0.856 2.516 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.585 0.361 0.018 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -2.201 1.257 0.323 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.182 0.523 -1.316 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -4.030 2.902 -0.836 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -4.381 1.508 -1.370 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.655 0.975 -0.721 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -6.837 0.879 -1.473 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -8.019 0.398 -0.896 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -8.030 0.007 0.439 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -9.482 -0.595 1.143 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -6.874 0.102 1.206 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -5.695 0.588 0.629 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.117 0.126 -0.227 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.072 1.362 -0.189 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 1.092 -0.662 -0.510 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.424 -0.158 -0.721 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.264 -1.251 -0.932 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.644 -1.121 -1.160 0.00 0.00 +0.034 A ATOM 26 C LIG 1 5.201 0.168 -1.163 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.377 1.279 -0.958 0.00 0.00 +0.009 A ATOM 28 N LIG 1 2.482 -2.380 -0.857 0.00 0.00 -0.360 N ATOM 29 H LIG 1 2.829 -3.323 -0.957 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 2.999 1.132 -0.741 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.179 -2.040 -0.605 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 6.626 0.334 -1.387 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.425 1.282 -0.768 0.00 0.00 +0.116 A ATOM 34 N LIG 1 8.690 1.084 -1.239 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.877 1.824 -0.872 0.00 0.00 +0.172 C ATOM 36 N LIG 1 8.780 0.071 -2.123 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 7.524 -0.383 -2.211 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8