REMARK Name = BDB019925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.103 0.826 1.006 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.340 2.194 0.802 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.633 2.737 0.805 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.689 1.835 1.023 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.484 0.458 1.242 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -1.175 -0.035 1.247 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.859 4.077 0.597 0.00 0.00 -0.330 N ATOM 8 C LIG 1 -3.152 4.737 0.764 0.00 0.00 +0.105 C ATOM 9 C LIG 1 -2.810 6.225 0.783 0.00 0.00 +0.020 C ATOM 10 C LIG 1 -1.579 6.307 -0.101 0.00 0.00 +0.020 C ATOM 11 C LIG 1 -0.809 5.041 0.266 0.00 0.00 +0.105 C ENDBRANCH 3 7 BRANCH 1 14 ATOM 12 N LIG 1 1.477 -0.990 0.644 0.00 0.00 -0.303 N ATOM 13 H LIG 1 0.733 -1.442 0.127 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 1.304 0.336 0.977 0.00 0.00 +0.245 C ATOM 15 O LIG 1 2.233 1.101 1.214 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 2.801 -1.504 0.349 0.00 0.00 +0.125 C BRANCH 16 23 ATOM 17 C LIG 1 5.945 0.023 -3.306 0.00 0.00 +0.047 C ATOM 18 C LIG 1 4.640 -0.559 -2.861 0.00 0.00 -0.012 A ATOM 19 C LIG 1 3.697 -0.980 -3.793 0.00 0.00 +0.144 A ATOM 20 F LIG 1 3.929 -0.852 -5.106 0.00 0.00 -0.204 F ATOM 21 C LIG 1 2.510 -1.537 -3.350 0.00 0.00 +0.149 A ATOM 22 N LIG 1 2.201 -1.712 -2.044 0.00 0.00 -0.255 NA ATOM 23 C LIG 1 3.131 -1.309 -1.129 0.00 0.00 +0.062 A ATOM 24 C LIG 1 4.352 -0.740 -1.504 0.00 0.00 +0.031 A ENDBRANCH 16 23 BRANCH 16 25 ATOM 25 C LIG 1 2.825 -2.975 0.684 0.00 0.00 +0.015 C ATOM 26 C LIG 1 2.926 -3.425 2.123 0.00 0.00 +0.006 C ATOM 27 C LIG 1 4.086 -3.636 1.190 0.00 0.00 +0.006 C ENDBRANCH 16 25 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 C LIG 1 -3.661 -0.461 1.488 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 N LIG 1 -3.692 -1.557 0.541 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -3.217 -2.855 0.772 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -2.724 -3.376 1.837 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -2.725 -2.693 2.593 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -3.373 -3.500 -0.458 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -2.877 -4.829 -0.718 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.864 -2.612 -1.401 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -4.066 -1.435 -0.796 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7