REMARK Name = BDB015858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.883 -2.094 0.017 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.410 -0.833 -0.028 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.078 -0.640 -0.085 0.00 0.00 +0.133 A ATOM 4 C LIG 1 -0.808 -1.714 -0.069 0.00 0.00 +0.067 A ATOM 5 C LIG 1 -0.225 -2.968 -0.049 0.00 0.00 +0.127 A ATOM 6 N LIG 1 1.104 -3.188 0.000 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 5.620 -1.319 0.049 0.00 0.00 -0.014 A ATOM 8 C LIG 1 4.225 -1.177 -0.030 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.346 -2.275 0.093 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.924 -3.541 0.293 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.308 -3.704 0.373 0.00 0.00 +0.001 A ATOM 12 C LIG 1 6.151 -2.599 0.252 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 7.403 3.325 0.023 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.274 1.892 -0.089 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.339 1.159 -0.459 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 7.870 -0.093 -0.458 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.505 -0.171 -0.087 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.157 1.145 0.151 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.257 -1.597 -0.087 0.00 0.00 +0.137 A ATOM 20 S LIG 1 -3.104 -0.739 1.139 0.00 0.00 -0.041 S ATOM 21 C LIG 1 -4.565 -1.178 0.347 0.00 0.00 +0.187 A ATOM 22 N LIG 1 -4.380 -1.915 -0.730 0.00 0.00 -0.136 NA ATOM 23 N LIG 1 -3.047 -2.181 -0.966 0.00 0.00 -0.141 NA BRANCH 21 24 ATOM 24 C LIG 1 -5.856 -0.727 0.865 0.00 0.00 +0.274 C ATOM 25 N LIG 1 -7.022 -1.079 0.188 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -7.158 -1.917 -0.997 0.00 0.00 +0.139 C ATOM 27 C LIG 1 -8.668 -2.109 -1.177 0.00 0.00 +0.133 C ATOM 28 C LIG 1 -9.249 -0.856 -0.534 0.00 0.00 +0.052 C ATOM 29 C LIG 1 -8.319 -0.608 0.641 0.00 0.00 +0.111 C ATOM 30 O LIG 1 -5.950 -0.038 1.887 0.00 0.00 -0.268 OA BRANCH 27 31 ATOM 31 O LIG 1 -9.059 -2.187 -2.537 0.00 0.00 -0.390 OA ATOM 32 H LIG 1 -8.640 -2.976 -2.924 0.00 0.00 +0.210 HD ENDBRANCH 27 31 ENDBRANCH 21 24 ENDBRANCH 4 19 BRANCH 3 33 ATOM 33 N LIG 1 -0.409 0.682 -0.153 0.00 0.00 -0.324 N ATOM 34 H LIG 1 -1.015 0.756 -0.970 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 C LIG 1 0.593 1.763 -0.129 0.00 0.00 +0.086 C ATOM 36 C LIG 1 -0.063 3.088 -0.592 0.00 0.00 +0.103 C ATOM 37 N LIG 1 0.857 4.232 -0.639 0.00 0.00 -0.314 NA ATOM 38 H LIG 1 0.315 5.093 -0.559 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 1.890 4.192 0.397 0.00 0.00 +0.081 C ATOM 40 C LIG 1 1.478 3.401 1.633 0.00 0.00 +0.017 C ATOM 41 C LIG 1 1.165 1.942 1.292 0.00 0.00 +0.025 C ENDBRANCH 33 35 ENDBRANCH 3 33 TORSDOF 7