REMARK Name = BDB021374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.952 3.615 -0.289 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.037 2.672 -0.417 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.322 1.681 0.379 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.534 1.943 0.991 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.145 1.040 1.880 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.531 -0.064 2.214 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.317 -0.329 1.617 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.312 0.445 0.706 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -1.920 3.202 0.596 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.614 -0.005 0.156 0.00 0.00 -0.013 A ATOM 11 C LIG 1 2.704 0.873 0.112 0.00 0.00 +0.009 A ATOM 12 C LIG 1 3.934 0.463 -0.412 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.110 -0.837 -0.906 0.00 0.00 -0.030 A ATOM 14 C LIG 1 3.012 -1.708 -0.882 0.00 0.00 +0.006 A ATOM 15 C LIG 1 1.780 -1.298 -0.359 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 5.425 -1.303 -1.500 0.00 0.00 +0.084 C ATOM 17 N LIG 1 5.747 -0.617 -2.763 0.00 0.00 -0.309 NA ATOM 18 H LIG 1 4.953 -0.067 -3.088 0.00 0.00 +0.123 HD ATOM 19 C LIG 1 6.911 0.230 -2.522 0.00 0.00 +0.081 C ATOM 20 C LIG 1 7.714 -0.553 -1.505 0.00 0.00 +0.017 C ATOM 21 C LIG 1 6.643 -1.114 -0.586 0.00 0.00 +0.025 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -0.889 5.881 -1.547 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -0.901 4.859 -0.995 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -3.382 1.289 2.438 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.542 0.567 3.136 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.583 1.432 1.617 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -4.728 0.331 0.606 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.993 -0.990 0.953 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.132 -1.627 2.285 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -5.700 -2.981 1.858 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -5.337 -3.230 0.482 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -5.089 -1.979 -0.021 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -4.927 -1.712 -1.365 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.671 -0.394 -1.738 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -4.577 0.606 -0.761 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -4.323 1.861 -1.159 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 6