REMARK Name = BDB016893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.010 0.556 0.162 0.00 0.00 +0.141 A ATOM 2 N LIG 1 2.158 0.051 -0.818 0.00 0.00 -0.339 N ATOM 3 H LIG 1 2.442 -0.423 -1.665 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.901 0.298 -0.388 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -0.482 0.063 -0.814 0.00 0.00 +0.161 C ATOM 6 N LIG 1 -1.219 0.666 0.357 0.00 0.00 -0.252 N ATOM 7 C LIG 1 -0.306 1.182 1.342 0.00 0.00 +0.272 C ATOM 8 O LIG 1 -0.536 1.745 2.400 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 1.008 0.914 0.811 0.00 0.00 +0.149 A ATOM 10 N LIG 1 2.305 1.091 1.159 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.613 0.768 0.403 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -3.404 0.426 -0.638 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.789 0.541 -0.541 0.00 0.00 -0.282 N ATOM 14 C LIG 1 -5.450 1.006 0.580 0.00 0.00 +0.203 A ATOM 15 N LIG 1 -6.747 1.004 0.351 0.00 0.00 -0.126 NA ATOM 16 N LIG 1 -6.955 0.532 -0.923 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -4.650 1.371 1.700 0.00 0.00 +0.166 A ATOM 18 C LIG 1 -5.783 0.251 -1.453 0.00 0.00 +0.135 A ATOM 19 C LIG 1 -5.542 -0.293 -2.807 0.00 0.00 +0.088 C ATOM 20 C LIG 1 -3.304 1.252 1.610 0.00 0.00 +0.074 A BRANCH 17 21 ATOM 21 O LIG 1 -5.379 1.809 2.779 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -4.669 2.222 3.939 0.00 0.00 +0.277 C ENDBRANCH 17 21 ENDBRANCH 6 11 BRANCH 5 23 ATOM 23 C LIG 1 -0.757 -1.411 -1.054 0.00 0.00 -0.021 A ATOM 24 C LIG 1 -0.833 -1.895 -2.373 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -1.071 -3.249 -2.623 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.227 -4.133 -1.558 0.00 0.00 +0.041 A ATOM 27 CL LIG 1 -1.518 -5.799 -1.869 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 -1.143 -3.677 -0.246 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -0.905 -2.323 0.006 0.00 0.00 +0.007 A ENDBRANCH 5 23 BRANCH 1 33 ATOM 30 C LIG 1 7.229 0.493 0.134 0.00 0.00 +0.214 A ATOM 31 N LIG 1 6.589 1.102 1.150 0.00 0.00 -0.221 NA ATOM 32 C LIG 1 5.232 1.090 1.108 0.00 0.00 +0.126 A ATOM 33 C LIG 1 4.472 0.501 0.097 0.00 0.00 +0.036 A ATOM 34 C LIG 1 5.179 -0.121 -0.936 0.00 0.00 +0.018 A ATOM 35 C LIG 1 6.575 -0.125 -0.919 0.00 0.00 +0.068 A BRANCH 30 37 ATOM 36 C LIG 1 9.206 1.109 1.219 0.00 0.00 +0.279 C ATOM 37 O LIG 1 8.608 0.459 0.101 0.00 0.00 -0.480 OA ENDBRANCH 30 37 ENDBRANCH 1 33 TORSDOF 5