REMARK Name = BDB001541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.401 -1.112 -2.613 0.00 0.00 -0.297 N ATOM 2 H LIG 1 -1.216 -1.894 -3.233 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.800 -0.965 -2.423 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -3.627 -1.176 -3.512 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -3.146 -1.553 -4.705 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -4.970 -1.000 -3.314 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -5.498 -0.639 -2.129 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -4.644 -0.446 -1.112 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -3.311 -0.595 -1.231 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 -5.076 -0.076 0.157 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.275 -0.009 0.769 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 -6.326 0.183 0.727 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -7.534 0.133 0.020 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -8.757 0.404 0.647 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -8.778 0.730 1.996 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -7.600 0.789 2.724 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -6.384 0.517 2.091 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 -9.945 1.002 2.645 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -10.676 0.922 2.011 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 1.896 -0.274 -0.090 0.00 0.00 +0.037 A ATOM 21 C LIG 1 2.002 -1.211 -1.122 0.00 0.00 +0.015 A ATOM 22 C LIG 1 0.897 -1.476 -1.940 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -0.337 -0.838 -1.731 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -0.419 0.105 -0.701 0.00 0.00 +0.024 A ATOM 25 C LIG 1 0.679 0.376 0.124 0.00 0.00 +0.015 A BRANCH 20 28 ATOM 26 N LIG 1 4.277 0.061 0.185 0.00 0.00 -0.281 N ATOM 27 H LIG 1 4.286 -0.026 -0.822 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 3.043 0.042 0.808 0.00 0.00 +0.248 C ATOM 29 O LIG 1 2.806 0.284 1.985 0.00 0.00 -0.270 OA BRANCH 26 32 ATOM 30 C LIG 1 7.937 0.552 0.439 0.00 0.00 +0.122 A ATOM 31 C LIG 1 6.649 0.340 -0.065 0.00 0.00 +0.069 A ATOM 32 C LIG 1 5.535 0.285 0.784 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.730 0.441 2.156 0.00 0.00 +0.023 A ATOM 34 C LIG 1 7.013 0.653 2.666 0.00 0.00 +0.005 A ATOM 35 C LIG 1 8.116 0.710 1.812 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 10.249 0.809 -0.050 0.00 0.00 +0.277 C ATOM 37 O LIG 1 8.923 0.582 -0.510 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 26 32 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 8