REMARK Name = BDB016124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.261 2.359 -0.132 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.232 1.497 -0.018 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.020 1.956 -0.205 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.260 3.289 -0.542 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.137 4.094 -0.619 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.124 3.665 -0.412 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.140 -0.095 0.339 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.859 0.435 0.122 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.621 1.825 0.077 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.730 2.673 0.244 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.012 2.160 0.459 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.215 0.782 0.510 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.718 -4.635 1.573 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.028 -3.533 0.949 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.103 -3.782 0.004 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.690 -2.563 -0.354 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.326 -1.533 0.377 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.193 -2.204 1.214 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.571 3.855 -0.781 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.520 3.334 -1.636 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.585 4.184 -1.589 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.827 4.064 -2.315 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.397 5.231 -0.765 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.166 5.036 -0.284 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.093 1.042 -0.087 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.818 1.492 0.472 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.749 -0.309 0.429 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -1.212 -1.179 -0.740 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -0.632 -2.520 -0.256 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -1.631 -3.667 -0.109 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -2.953 -3.363 0.586 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -2.900 -2.284 1.661 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -3.022 -0.871 1.093 0.00 0.00 +0.025 C BRANCH 28 34 ATOM 34 O LIG 1 -2.245 -1.361 -1.722 0.00 0.00 -0.387 OA ATOM 35 H LIG 1 -2.520 -0.452 -1.945 0.00 0.00 +0.210 HD ENDBRANCH 28 34 BRANCH 29 36 ATOM 36 O LIG 1 0.379 -2.947 -1.187 0.00 0.00 -0.389 OA ATOM 37 H LIG 1 0.739 -3.794 -0.868 0.00 0.00 +0.210 HD ENDBRANCH 29 36 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7