REMARK Name = BDB016032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.306 2.222 -0.210 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.201 1.484 0.021 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.943 2.112 0.354 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.983 3.501 0.501 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.205 4.164 0.243 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.352 3.561 -0.122 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.753 -0.611 -0.946 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.597 0.098 -0.583 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.541 1.506 -0.591 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.707 2.188 -0.981 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.866 1.498 -1.351 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.887 0.103 -1.337 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 2.825 -5.319 0.301 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.340 -4.140 -0.352 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.139 -4.266 -1.428 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.396 -3.001 -1.774 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.762 -2.062 -0.928 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.103 -2.844 -0.002 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.163 4.237 0.914 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.578 5.439 0.378 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.723 5.778 1.040 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.533 6.954 0.833 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.089 4.879 1.969 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.135 3.947 1.900 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.098 1.347 0.590 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.882 1.786 0.110 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.114 -0.109 0.396 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -1.249 -0.863 1.415 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -0.719 -2.197 0.880 0.00 0.00 +0.006 C ATOM 30 C LIG 1 -1.732 -2.906 -0.029 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -2.093 -2.033 -1.251 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -1.859 -0.533 -1.050 0.00 0.00 +0.022 C BRANCH 30 33 ATOM 33 C LIG 1 -1.233 -4.284 -0.505 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 N LIG 1 -0.977 -5.199 0.604 0.00 0.00 -0.330 NA ATOM 35 H LIG 1 -1.824 -5.298 1.164 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -0.782 -6.127 0.229 0.00 0.00 +0.118 HD ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7