REMARK Name = BDB038383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.521 0.782 0.335 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.702 0.932 -0.315 0.00 0.00 +0.253 C ATOM 3 O LIG 1 1.002 1.421 -1.388 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.719 0.356 0.577 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.085 0.262 0.378 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.857 -0.338 1.381 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.223 -0.835 2.545 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.830 -0.726 2.737 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.092 -0.123 1.722 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.380 0.122 1.621 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.179 1.306 -0.021 0.00 0.00 -0.012 A ATOM 12 C LIG 1 -2.933 0.998 0.539 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -1.768 1.170 -0.198 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -1.814 1.683 -1.441 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 -2.996 2.040 -1.995 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.190 1.848 -1.308 0.00 0.00 +0.032 A BRANCH 11 18 ATOM 17 C LIG 1 -5.749 -0.219 1.276 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.437 1.045 0.712 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -6.368 2.090 0.879 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.559 1.899 1.582 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.845 0.659 2.144 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.943 -0.393 1.996 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -5.245 -1.948 -1.273 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -4.625 -2.098 0.015 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -4.855 -1.369 1.155 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -4.094 -1.859 2.117 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -3.341 -2.885 1.596 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -3.673 -3.018 0.335 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 BRANCH 15 29 ATOM 29 C LIG 1 -2.993 2.622 -3.389 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -3.341 4.078 -3.600 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -1.927 3.617 -3.788 0.00 0.00 +0.010 C ENDBRANCH 15 29 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 1.167 -1.275 3.973 0.00 0.00 +0.418 C ATOM 33 F LIG 1 0.206 -0.446 4.463 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.559 -2.469 3.744 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.036 -1.485 5.000 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.351 -0.491 1.199 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 5.645 -1.691 0.415 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 5.226 -2.487 0.896 0.00 0.00 +0.122 HD BRANCH 37 39 ATOM 39 C LIG 1 7.088 -1.928 0.275 0.00 0.00 +0.116 C BRANCH 39 40 ATOM 40 C LIG 1 7.708 -1.498 -1.075 0.00 0.00 +0.078 C ATOM 41 C LIG 1 7.630 0.007 -1.474 0.00 0.00 +0.036 C ATOM 42 C LIG 1 6.447 -0.324 -2.397 0.00 0.00 +0.006 C ATOM 43 C LIG 1 6.881 -1.798 -2.365 0.00 0.00 +0.036 C BRANCH 40 44 ATOM 44 O LIG 1 9.065 -2.016 -1.127 0.00 0.00 -0.387 OA ATOM 45 H LIG 1 8.962 -2.968 -1.302 0.00 0.00 +0.210 HD ENDBRANCH 40 44 ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10