REMARK Name = BDB024311 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.065 -1.112 -1.397 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.357 -2.488 -0.819 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.213 -2.760 0.552 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.468 -4.037 1.056 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.863 -5.060 0.197 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.000 -4.809 -1.166 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.745 -3.533 -1.672 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.068 -0.294 -0.534 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.454 0.015 0.212 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.469 -0.940 -1.594 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.038 -1.361 -2.599 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.015 0.737 0.270 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.926 1.036 1.081 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.641 0.694 0.808 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.408 0.016 -0.335 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.425 -0.332 -1.211 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.739 0.033 -0.903 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.822 1.972 0.051 0.00 0.00 +0.172 C ATOM 19 N LIG 1 8.488 1.683 0.518 0.00 0.00 -0.274 N ATOM 20 N LIG 1 8.206 1.800 1.827 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.915 1.466 1.899 0.00 0.00 +0.143 A ATOM 22 C LIG 1 6.361 1.135 0.639 0.00 0.00 +0.021 A ATOM 23 C LIG 1 7.418 1.292 -0.235 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.583 0.013 -0.562 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.271 0.878 -1.006 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.052 0.045 -0.560 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -3.639 1.129 0.347 0.00 0.00 +0.008 C ATOM 28 C LIG 1 -2.874 2.418 0.639 0.00 0.00 +0.014 C ATOM 29 C LIG 1 -2.997 1.375 1.708 0.00 0.00 +0.014 C BRANCH 27 30 ATOM 30 C LIG 1 -5.164 1.223 0.263 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -5.989 0.414 1.065 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.383 0.484 0.981 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.976 1.368 0.085 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -9.690 1.458 -0.023 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -7.187 2.177 -0.726 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.794 2.101 -0.637 0.00 0.00 +0.005 A ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8