REMARK Name = BDB035161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.844 -0.965 0.672 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.006 -2.292 0.585 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -2.305 -2.609 -0.528 0.00 0.00 -0.220 N ATOM 4 C LIG 1 -1.766 -1.447 -1.078 0.00 0.00 +0.160 A ATOM 5 C LIG 1 -0.978 -1.550 -2.277 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.831 -2.784 -2.822 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.406 -3.981 -2.229 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.123 -3.864 -1.101 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -2.113 -0.408 -0.349 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.114 -0.321 3.052 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -3.432 -0.152 1.713 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -4.345 0.859 1.419 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -4.878 1.628 2.406 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -4.500 1.369 3.664 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -3.635 0.427 4.046 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.792 1.164 -0.001 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.702 0.199 -0.729 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.232 1.528 -0.286 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -1.990 -1.451 4.783 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -2.170 -1.278 3.382 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.348 -0.345 -2.949 0.00 0.00 +0.074 C BRANCH 21 22 ATOM 22 C LIG 1 0.963 0.061 -2.316 0.00 0.00 -0.043 A ATOM 23 C LIG 1 0.983 0.896 -1.192 0.00 0.00 +0.006 A ATOM 24 C LIG 1 2.192 1.255 -0.581 0.00 0.00 +0.028 A ATOM 25 C LIG 1 3.408 0.778 -1.078 0.00 0.00 +0.066 A ATOM 26 C LIG 1 3.385 -0.048 -2.217 0.00 0.00 +0.028 A ATOM 27 C LIG 1 2.177 -0.409 -2.823 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 N LIG 1 4.673 1.108 -0.494 0.00 0.00 -0.236 N ATOM 29 C LIG 1 4.997 1.706 0.722 0.00 0.00 +0.042 A ATOM 30 C LIG 1 4.061 2.050 1.821 0.00 0.00 +0.066 C ATOM 31 C LIG 1 6.369 1.869 0.721 0.00 0.00 +0.057 A ATOM 32 C LIG 1 6.832 1.296 -0.480 0.00 0.00 +0.166 A ATOM 33 N LIG 1 5.806 0.808 -1.194 0.00 0.00 -0.162 NA BRANCH 32 34 ATOM 34 C LIG 1 8.261 1.206 -0.941 0.00 0.00 +0.436 C ATOM 35 F LIG 1 8.598 -0.035 -1.385 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.134 1.502 0.062 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.532 2.077 -1.950 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7