REMARK Name = BDB006371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.386 2.243 -2.879 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.796 1.763 -1.598 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.270 0.680 -0.795 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.421 0.565 0.307 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.609 -0.427 1.286 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.686 -1.306 1.143 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.561 -1.202 0.062 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.543 1.552 0.182 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.352 -0.221 -0.920 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.316 2.294 -0.962 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.183 3.435 -1.377 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.689 -2.171 -0.029 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.816 -1.734 -0.694 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.916 -0.745 -0.875 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.597 -3.274 0.498 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.027 -2.522 -0.721 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 7.031 -1.992 0.269 0.00 0.00 -0.029 A ATOM 18 C LIG 1 8.069 -1.141 -0.145 0.00 0.00 +0.028 A ATOM 19 C LIG 1 9.005 -0.646 0.768 0.00 0.00 +0.025 A ATOM 20 C LIG 1 8.832 -0.925 2.125 0.00 0.00 +0.023 A ATOM 21 C LIG 1 7.803 -1.765 2.555 0.00 0.00 +0.002 A ATOM 22 C LIG 1 6.910 -2.303 1.630 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 N LIG 1 9.960 0.294 0.357 0.00 0.00 -0.358 N ATOM 24 H LIG 1 10.758 0.359 0.981 0.00 0.00 +0.142 HD ATOM 25 H LIG 1 10.240 0.192 -0.613 0.00 0.00 +0.142 HD ENDBRANCH 19 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -1.610 1.798 1.154 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -2.966 1.341 0.673 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.180 0.032 0.219 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.449 -0.382 -0.197 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.541 0.497 -0.160 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.327 1.803 0.303 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.058 2.218 0.720 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.874 0.065 -0.610 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.648 -0.899 0.068 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.878 -1.331 -0.454 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.369 -0.785 -1.638 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.630 0.186 -2.309 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.396 0.603 -1.802 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -7.224 -1.519 1.339 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -7.257 -2.709 1.593 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.881 -0.602 2.259 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -6.639 -1.130 3.047 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9