REMARK Name = BDB010796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.141 2.368 -1.157 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.173 1.028 -0.946 0.00 0.00 -0.319 N ATOM 3 C LIG 1 -1.098 0.990 0.081 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.060 2.273 0.606 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.718 2.659 1.708 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.427 1.668 2.247 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.579 0.405 1.782 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.936 0.038 0.655 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.310 3.106 -0.163 0.00 0.00 -0.208 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.165 1.962 3.495 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.876 0.982 4.076 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.969 0.032 3.758 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.436 1.503 5.175 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.155 0.908 5.961 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.065 2.821 5.268 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.223 3.084 4.137 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 0.167 2.903 -3.459 0.00 0.00 +0.021 C ATOM 18 C LIG 1 0.867 2.802 -2.312 0.00 0.00 +0.018 C BRANCH 18 19 ATOM 19 C LIG 1 2.270 3.289 -2.284 0.00 0.00 -0.015 A ATOM 20 C LIG 1 3.186 2.944 -3.295 0.00 0.00 +0.011 A ATOM 21 C LIG 1 4.511 3.384 -3.237 0.00 0.00 +0.039 A ATOM 22 C LIG 1 4.928 4.168 -2.169 0.00 0.00 +0.123 A ATOM 23 F LIG 1 6.199 4.587 -2.115 0.00 0.00 -0.205 F ATOM 24 C LIG 1 4.046 4.520 -1.157 0.00 0.00 +0.039 A ATOM 25 C LIG 1 2.721 4.080 -1.213 0.00 0.00 +0.011 A ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 26 ATOM 26 N LIG 1 -2.146 -1.218 0.099 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -2.234 -1.146 -0.908 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.134 -2.107 0.717 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -2.508 -2.797 1.936 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -3.613 -3.197 -0.255 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.262 -2.774 -1.604 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.648 -4.052 -2.215 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -2.580 -3.994 -1.104 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.387 -0.106 -1.661 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.613 -0.817 -1.031 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.290 -1.708 0.184 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.707 -1.081 1.510 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.219 -0.793 1.565 0.00 0.00 -0.014 C ATOM 39 C LIG 1 3.979 -1.923 2.262 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.820 -0.529 0.173 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.799 0.124 -0.752 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8