REMARK Name = BDB020670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.808 -1.984 -0.139 0.00 0.00 +0.043 A ATOM 2 C LIG 1 1.020 -0.922 -0.786 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.752 0.367 -1.068 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.280 -1.181 -1.117 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.774 -2.497 -0.885 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.013 -3.514 -0.313 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -0.775 -4.659 -0.232 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -2.052 -4.367 -0.770 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.014 -3.045 -1.174 0.00 0.00 +0.100 A ATOM 10 C LIG 1 1.319 -3.219 0.072 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.207 -5.237 -0.938 0.00 0.00 -0.014 A ATOM 12 C LIG 1 -3.029 -6.598 -1.195 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.151 -7.397 -1.344 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -5.417 -6.940 -1.250 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -5.567 -5.623 -0.996 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -4.509 -4.743 -0.835 0.00 0.00 +0.028 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 3.220 -0.935 1.472 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.362 -0.497 1.790 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 3.188 -1.764 0.381 0.00 0.00 +0.245 C ATOM 20 O LIG 1 4.166 -2.297 -0.127 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.453 -0.442 2.038 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 5.230 5.016 0.185 0.00 0.00 +0.063 C ATOM 23 C LIG 1 5.103 3.583 0.595 0.00 0.00 +0.016 A ATOM 24 N LIG 1 4.151 3.282 1.537 0.00 0.00 -0.326 N ATOM 25 H LIG 1 3.566 4.014 1.920 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 3.898 2.020 2.010 0.00 0.00 +0.254 A ATOM 27 O LIG 1 3.008 1.814 2.830 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.747 0.911 1.460 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.684 1.215 0.534 0.00 0.00 -0.039 A ATOM 30 C LIG 1 6.605 0.231 -0.135 0.00 0.00 +0.044 C ATOM 31 C LIG 1 5.856 2.593 0.093 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -1.250 -0.148 -1.723 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -1.014 -0.143 -3.247 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -1.184 1.193 -1.075 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 -1.470 1.101 0.374 0.00 0.00 +0.086 C ATOM 36 C LIG 1 -1.739 2.463 1.013 0.00 0.00 +0.034 C ATOM 37 C LIG 1 -2.967 3.156 0.392 0.00 0.00 +0.058 C ATOM 38 C LIG 1 -3.279 2.585 -1.005 0.00 0.00 +0.034 C ATOM 39 C LIG 1 -1.981 2.242 -1.735 0.00 0.00 +0.086 C BRANCH 37 40 ATOM 40 N LIG 1 -4.194 3.214 1.218 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 -4.066 4.183 2.309 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -4.636 1.923 1.746 0.00 0.00 +0.104 C ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7