REMARK Name = BDB032084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.464 -1.896 -1.463 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -1.793 -2.250 -1.524 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -2.316 -3.242 -1.042 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.410 -1.231 -2.246 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -1.496 -0.257 -2.576 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -0.376 -0.704 -2.084 0.00 0.00 +0.134 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 0.947 -3.916 -1.570 0.00 0.00 +0.027 C ATOM 8 C LIG 1 0.543 -2.685 -0.775 0.00 0.00 +0.125 C ENDBRANCH 1 8 BRANCH 4 9 ATOM 9 C LIG 1 -3.829 -1.092 -2.461 0.00 0.00 +0.184 C BRANCH 9 10 ATOM 10 C LIG 1 -4.503 -0.335 -1.343 0.00 0.00 -0.026 A ATOM 11 C LIG 1 -5.017 -1.008 -0.232 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -5.626 -0.299 0.808 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -5.735 1.104 0.781 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -5.200 1.767 -0.335 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.589 1.060 -1.378 0.00 0.00 +0.006 A BRANCH 13 16 ATOM 16 C LIG 1 -6.411 1.849 1.946 0.00 0.00 -0.013 C ATOM 17 C LIG 1 -5.641 1.571 3.255 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -6.462 3.382 1.761 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -7.868 1.360 2.100 0.00 0.00 +0.015 C ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 4 9 BRANCH 6 20 ATOM 20 C LIG 1 0.914 0.050 -2.227 0.00 0.00 +0.077 C BRANCH 20 21 ATOM 21 C LIG 1 1.699 -0.456 -3.437 0.00 0.00 +0.012 C BRANCH 21 22 ATOM 22 C LIG 1 3.154 0.022 -3.446 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 3.996 -0.645 -2.384 0.00 0.00 -0.047 A ATOM 24 C LIG 1 4.407 0.068 -1.246 0.00 0.00 +0.012 A ATOM 25 C LIG 1 5.165 -0.542 -0.231 0.00 0.00 -0.018 A ATOM 26 C LIG 1 5.506 -1.895 -0.384 0.00 0.00 +0.008 A ATOM 27 C LIG 1 5.109 -2.613 -1.514 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.359 -1.991 -2.509 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 5.586 0.215 0.959 0.00 0.00 -0.018 A ATOM 30 C LIG 1 6.299 1.421 0.833 0.00 0.00 +0.009 A ATOM 31 C LIG 1 6.706 2.142 1.960 0.00 0.00 +0.015 A ATOM 32 C LIG 1 6.391 1.668 3.237 0.00 0.00 +0.059 A ATOM 33 C LIG 1 5.700 0.464 3.385 0.00 0.00 +0.015 A ATOM 34 C LIG 1 5.297 -0.252 2.253 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 C LIG 1 6.808 2.398 4.455 0.00 0.00 +0.337 C ATOM 36 O LIG 1 7.232 1.844 5.452 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 6.625 3.732 4.357 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 6.118 4.015 3.573 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 11