REMARK Name = BDB030782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.975 -1.878 -0.275 0.00 0.00 +0.031 C ATOM 2 C LIG 1 -5.871 -0.817 -1.371 0.00 0.00 +0.105 C ATOM 3 N LIG 1 -4.564 -0.142 -1.291 0.00 0.00 -0.337 N ATOM 4 H LIG 1 -3.831 -0.653 -1.772 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -4.124 0.647 -0.219 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -2.748 0.401 0.310 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -2.179 1.299 1.230 0.00 0.00 +0.054 A ATOM 8 N LIG 1 -2.954 2.385 1.729 0.00 0.00 -0.310 N ATOM 9 C LIG 1 -4.290 2.545 1.386 0.00 0.00 +0.267 A ATOM 10 O LIG 1 -5.021 3.376 1.923 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -2.388 3.298 2.712 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -0.870 1.078 1.685 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.132 -0.029 1.259 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.673 -0.949 0.367 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -1.991 -0.733 -0.069 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -4.829 1.659 0.330 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -6.149 1.983 -0.237 0.00 0.00 +0.346 C ATOM 18 O LIG 1 -6.450 3.045 -0.759 0.00 0.00 -0.245 OA ATOM 19 O LIG 1 -7.000 0.931 -0.111 0.00 0.00 -0.459 OA ATOM 20 C LIG 1 -7.038 0.180 -1.326 0.00 0.00 +0.254 C ENDROOT BRANCH 14 21 ATOM 21 N LIG 1 -0.001 -2.120 -0.034 0.00 0.00 -0.298 N ATOM 22 H LIG 1 -0.484 -2.633 -0.765 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 1.392 -2.394 -0.095 0.00 0.00 +0.147 A ATOM 24 C LIG 1 1.812 -3.686 -0.378 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 0.728 -4.978 -0.717 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 3.169 -3.891 -0.396 0.00 0.00 +0.137 A ATOM 27 N LIG 1 4.072 -2.920 -0.161 0.00 0.00 -0.221 NA ATOM 28 C LIG 1 3.600 -1.693 0.108 0.00 0.00 +0.220 A ATOM 29 N LIG 1 2.287 -1.415 0.152 0.00 0.00 -0.198 NA BRANCH 28 30 ATOM 30 N LIG 1 4.492 -0.689 0.374 0.00 0.00 -0.294 N ATOM 31 C LIG 1 4.111 0.713 0.264 0.00 0.00 +0.077 C ATOM 32 C LIG 1 5.324 1.394 0.927 0.00 0.00 +0.024 C ATOM 33 C LIG 1 6.493 0.412 0.721 0.00 0.00 +0.024 C ATOM 34 C LIG 1 4.010 1.084 -1.231 0.00 0.00 +0.022 C ATOM 35 C LIG 1 5.304 0.781 -2.002 0.00 0.00 +0.004 C ATOM 36 C LIG 1 5.952 -0.546 -1.575 0.00 0.00 +0.022 C ATOM 37 C LIG 1 5.882 -0.775 -0.050 0.00 0.00 +0.077 C ENDBRANCH 28 30 ENDBRANCH 21 23 ENDBRANCH 14 21 TORSDOF 3