REMARK Name = BDB001143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.855 0.348 0.641 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.624 1.292 1.617 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.570 2.122 1.565 0.00 0.00 +0.099 C ATOM 4 C LIG 1 0.354 3.242 2.589 0.00 0.00 +0.013 C ATOM 5 C LIG 1 1.708 3.468 3.268 0.00 0.00 +0.007 C ATOM 6 C LIG 1 2.699 2.574 2.520 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.739 2.684 3.504 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.848 1.405 2.031 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -1.585 1.835 2.564 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -0.034 0.155 -0.266 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 2.453 0.625 0.971 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.825 0.342 0.215 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 3.533 -0.195 1.209 0.00 0.00 +0.245 C ATOM 14 O LIG 1 4.169 -0.209 2.256 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 3.833 -1.176 0.134 0.00 0.00 +0.044 A ATOM 16 C LIG 1 3.999 -0.810 -1.229 0.00 0.00 -0.006 A ATOM 17 C LIG 1 4.206 -1.850 -2.170 0.00 0.00 -0.017 A ATOM 18 C LIG 1 4.361 -1.543 -3.532 0.00 0.00 +0.008 A ATOM 19 C LIG 1 4.331 -0.224 -3.980 0.00 0.00 +0.001 A ATOM 20 C LIG 1 4.155 0.809 -3.071 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.266 -3.187 -1.740 0.00 0.00 +0.008 A ATOM 22 C LIG 1 4.135 -3.518 -0.393 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.997 0.522 -1.714 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.921 -2.515 0.544 0.00 0.00 +0.013 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 25 ATOM 25 C LIG 1 -2.146 -0.503 0.717 0.00 0.00 +0.164 C BRANCH 25 27 ATOM 26 C LIG 1 -3.463 0.393 -1.166 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -2.624 -0.585 -0.668 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -1.955 -0.969 -1.327 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -3.997 1.242 -0.455 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -3.655 0.335 -2.698 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -2.492 1.063 -3.367 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -6.076 0.151 -2.779 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -4.922 0.986 -3.094 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -4.998 1.854 -2.554 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -1.909 -1.917 1.340 0.00 0.00 -0.011 C ATOM 36 C LIG 1 -0.855 -2.743 0.575 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -3.239 -2.703 1.329 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -1.451 -1.795 2.806 0.00 0.00 +0.013 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 7