REMARK Name = BDB056304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.430 0.066 -0.986 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.804 -0.813 -0.092 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -0.303 -0.393 0.667 0.00 0.00 -0.030 A ATOM 4 C LIG 1 -0.745 0.936 0.498 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.117 1.815 -0.399 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.965 1.374 -1.154 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 2.350 -1.344 -2.573 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.568 -0.420 -1.793 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.809 0.214 -1.650 0.00 0.00 -0.297 N ATOM 10 C LIG 1 4.912 -0.346 -2.429 0.00 0.00 +0.109 C ATOM 11 C LIG 1 6.032 0.666 -2.650 0.00 0.00 +0.038 C ATOM 12 C LIG 1 6.538 1.273 -1.325 0.00 0.00 +0.060 C ATOM 13 C LIG 1 5.314 1.899 -0.629 0.00 0.00 +0.038 C ATOM 14 C LIG 1 4.202 0.878 -0.401 0.00 0.00 +0.109 C BRANCH 12 15 ATOM 15 N LIG 1 7.228 0.283 -0.471 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 7.749 0.850 0.780 0.00 0.00 +0.085 C ATOM 17 C LIG 1 8.701 -0.222 1.289 0.00 0.00 +0.017 C ATOM 18 C LIG 1 9.139 -0.986 0.048 0.00 0.00 +0.017 C ATOM 19 C LIG 1 8.404 -0.323 -1.107 0.00 0.00 +0.085 C ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 C LIG 1 -1.866 1.472 1.295 0.00 0.00 +0.247 C ATOM 21 N LIG 1 -3.144 1.403 0.750 0.00 0.00 -0.297 N ATOM 22 C LIG 1 -3.452 0.798 -0.546 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -4.855 1.151 -1.025 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -5.938 0.700 -0.017 0.00 0.00 +0.060 C ATOM 25 C LIG 1 -5.445 0.892 1.440 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -4.277 1.865 1.547 0.00 0.00 +0.109 C ATOM 27 O LIG 1 -1.600 1.934 2.400 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 N LIG 1 -7.225 1.387 -0.275 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 -7.692 1.265 -1.663 0.00 0.00 +0.085 C ATOM 30 C LIG 1 -9.139 1.724 -1.590 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -9.581 1.407 -0.170 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -8.342 0.855 0.521 0.00 0.00 +0.085 C ENDBRANCH 24 28 ENDBRANCH 4 20 BRANCH 3 33 ATOM 33 C LIG 1 -0.947 -1.299 1.702 0.00 0.00 +0.071 C BRANCH 33 34 ATOM 34 C LIG 1 -0.913 -2.783 1.399 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -0.137 -3.650 2.181 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -0.104 -5.017 1.901 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.846 -5.531 0.838 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.622 -4.679 0.055 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -1.658 -3.312 0.334 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6