REMARK Name = BDB042633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.528 0.383 0.415 0.00 0.00 -0.312 N ATOM 2 C LIG 1 2.417 1.347 0.201 0.00 0.00 +0.125 C ATOM 3 C LIG 1 1.124 0.911 0.955 0.00 0.00 +0.074 C ATOM 4 N LIG 1 0.719 -0.432 0.458 0.00 0.00 -0.293 NA ATOM 5 C LIG 1 1.761 -1.278 1.092 0.00 0.00 +0.074 C ATOM 6 C LIG 1 1.846 -0.768 2.538 0.00 0.00 +0.022 C ATOM 7 C LIG 1 1.406 0.694 2.447 0.00 0.00 +0.022 C ATOM 8 C LIG 1 3.115 -1.039 0.350 0.00 0.00 +0.125 C ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 7.058 1.462 -1.559 0.00 0.00 +0.070 A ATOM 10 C LIG 1 5.897 2.207 -1.616 0.00 0.00 +0.131 A ATOM 11 N LIG 1 4.747 1.866 -0.983 0.00 0.00 -0.239 NA ATOM 12 C LIG 1 4.707 0.724 -0.258 0.00 0.00 +0.121 A ATOM 13 C LIG 1 5.856 -0.064 -0.143 0.00 0.00 +0.045 A ATOM 14 C LIG 1 7.035 0.300 -0.800 0.00 0.00 +0.024 A BRANCH 9 16 ATOM 15 N LIG 1 9.189 2.223 -2.814 0.00 0.00 -0.191 NA ATOM 16 C LIG 1 8.233 1.883 -2.251 0.00 0.00 +0.101 C ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 17 ATOM 17 C LIG 1 -0.658 -0.782 0.831 0.00 0.00 +0.085 C BRANCH 17 18 ATOM 18 C LIG 1 -1.145 -2.004 0.040 0.00 0.00 +0.021 C BRANCH 18 19 ATOM 19 C LIG 1 -2.560 -2.455 0.427 0.00 0.00 +0.054 C BRANCH 19 20 ATOM 20 C LIG 1 -3.630 -1.427 0.162 0.00 0.00 +0.020 A ATOM 21 N LIG 1 -3.998 -0.616 1.211 0.00 0.00 -0.326 N ATOM 22 H LIG 1 -3.558 -0.721 2.118 0.00 0.00 +0.169 HD ATOM 23 C LIG 1 -4.960 0.372 1.155 0.00 0.00 +0.259 A ATOM 24 O LIG 1 -5.215 1.047 2.144 0.00 0.00 -0.267 OA ATOM 25 C LIG 1 -5.640 0.550 -0.149 0.00 0.00 +0.082 A ATOM 26 C LIG 1 -5.274 -0.284 -1.218 0.00 0.00 -0.008 A ATOM 27 C LIG 1 -5.905 -0.133 -2.460 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -6.892 0.841 -2.633 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -7.252 1.665 -1.568 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -6.626 1.519 -0.331 0.00 0.00 +0.136 A ATOM 31 F LIG 1 -7.003 2.333 0.664 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -4.236 -1.301 -1.029 0.00 0.00 +0.030 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 4 17 TORSDOF 6