REMARK Name = BDB056262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.110 0.260 -0.909 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.182 -0.349 -1.763 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.001 -0.874 -1.240 0.00 0.00 +0.014 A ATOM 4 C LIG 1 1.265 -0.758 0.131 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.339 -0.150 0.985 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -0.844 0.376 0.462 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.251 -0.027 0.184 0.00 0.00 +0.059 C ATOM 8 C LIG 1 -5.878 1.341 -0.429 0.00 0.00 +0.038 C ATOM 9 C LIG 1 -4.739 1.228 -1.437 0.00 0.00 +0.109 C ATOM 10 N LIG 1 -3.573 0.563 -0.876 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -2.345 0.837 -1.491 0.00 0.00 +0.247 C ATOM 12 O LIG 1 -2.224 1.558 -2.478 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.848 -0.734 -0.264 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -4.965 -0.653 0.770 0.00 0.00 +0.038 C BRANCH 7 16 ATOM 15 C LIG 1 -8.537 0.728 0.685 0.00 0.00 +0.104 C ATOM 16 N LIG 1 -7.322 0.095 1.214 0.00 0.00 -0.305 NA ATOM 17 C LIG 1 -7.689 -1.203 1.795 0.00 0.00 +0.104 C ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 18 ATOM 18 C LIG 1 2.497 -1.338 0.708 0.00 0.00 +0.247 C ATOM 19 N LIG 1 3.735 -0.967 0.169 0.00 0.00 -0.297 N ATOM 20 C LIG 1 3.957 0.366 -0.404 0.00 0.00 +0.109 C ATOM 21 C LIG 1 5.162 0.382 -1.342 0.00 0.00 +0.038 C ATOM 22 C LIG 1 6.442 -0.122 -0.639 0.00 0.00 +0.059 C ATOM 23 C LIG 1 6.119 -1.552 -0.150 0.00 0.00 +0.038 C ATOM 24 C LIG 1 4.913 -1.577 0.784 0.00 0.00 +0.109 C ATOM 25 O LIG 1 2.362 -2.147 1.624 0.00 0.00 -0.270 OA BRANCH 22 26 ATOM 26 N LIG 1 6.907 0.787 0.445 0.00 0.00 -0.305 NA ATOM 27 C LIG 1 7.223 2.131 -0.059 0.00 0.00 +0.104 C ATOM 28 C LIG 1 8.091 0.264 1.139 0.00 0.00 +0.104 C ENDBRANCH 22 26 ENDBRANCH 4 18 TORSDOF 4