REMARK Name = BDB010165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.420 -0.660 -0.984 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.273 -0.142 -0.415 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.800 -0.642 -1.119 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.221 -1.456 -2.079 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.914 -2.181 -2.969 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.239 -2.047 -2.817 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.888 -1.270 -1.918 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.182 -0.524 -1.049 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.141 -1.432 -2.006 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.658 -1.119 0.760 0.00 0.00 +0.009 C ATOM 11 C LIG 1 3.167 -1.354 0.469 0.00 0.00 +0.111 C ATOM 12 N LIG 1 2.657 -0.352 -0.500 0.00 0.00 -0.301 N ATOM 13 C LIG 1 3.634 0.043 -1.542 0.00 0.00 +0.108 C ATOM 14 C LIG 1 4.678 -1.038 -1.792 0.00 0.00 +0.019 C ATOM 15 C LIG 1 5.480 -1.347 -0.525 0.00 0.00 +0.007 C BRANCH 10 17 ATOM 16 C LIG 1 6.628 -1.599 2.306 0.00 0.00 +0.007 C ATOM 17 C LIG 1 5.164 -1.920 1.989 0.00 0.00 -0.013 C ATOM 18 C LIG 1 4.978 -3.436 1.873 0.00 0.00 +0.007 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -3.126 -2.832 -3.749 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -4.346 -2.827 -3.771 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -2.442 -3.601 -4.627 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -3.139 -4.041 -5.154 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.816 0.326 -0.143 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.385 1.245 -0.218 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.285 0.400 -0.206 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.710 1.752 0.379 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.910 -0.785 0.545 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.694 -0.946 2.078 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.082 -1.620 2.124 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -6.436 -0.820 0.852 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.224 0.710 0.764 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 C LIG 1 -0.064 2.162 0.450 0.00 0.00 -0.028 A ATOM 33 C LIG 1 0.569 2.834 -0.605 0.00 0.00 +0.006 A ATOM 34 C LIG 1 0.298 4.182 -0.858 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -0.604 4.892 -0.054 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -1.212 4.232 1.023 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.940 2.885 1.275 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -0.879 6.354 -0.311 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -2.150 6.720 0.015 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.713 6.710 -1.615 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.059 7.169 0.408 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10