REMARK Name = BDB017441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.054 1.068 -1.206 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.668 1.892 -2.278 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.303 2.131 -2.488 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.302 1.615 -1.675 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.083 2.113 -2.233 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.315 2.848 -3.331 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.684 0.786 -0.603 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.651 2.848 -3.450 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.062 3.353 -4.226 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.048 0.534 -0.384 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -8.688 -1.402 1.705 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -7.997 -0.587 0.800 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -7.016 -1.159 -0.001 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.098 -0.598 -1.051 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.510 0.792 -0.907 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.326 -1.801 -1.546 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.744 -2.885 -0.791 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -5.388 -3.817 -0.940 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -4.521 -1.813 -2.461 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.504 0.486 -2.008 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.745 -2.530 0.113 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.406 -3.360 0.991 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -8.388 -2.777 1.794 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -10.025 0.390 2.522 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -9.675 -0.988 2.559 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.255 1.889 -1.770 0.00 0.00 +0.031 C ATOM 27 C LIG 1 1.643 1.720 -0.495 0.00 0.00 +0.011 C BRANCH 27 28 ATOM 28 C LIG 1 3.035 1.513 -0.077 0.00 0.00 -0.007 A ATOM 29 C LIG 1 3.321 0.694 1.013 0.00 0.00 +0.119 A ATOM 30 N LIG 1 4.564 0.459 1.500 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 5.598 1.078 0.878 0.00 0.00 +0.055 A ATOM 32 C LIG 1 5.411 1.928 -0.211 0.00 0.00 +0.025 A ATOM 33 C LIG 1 4.118 2.149 -0.685 0.00 0.00 +0.011 A BRANCH 31 34 ATOM 34 C LIG 1 6.997 0.816 1.412 0.00 0.00 +0.139 C BRANCH 34 35 ATOM 35 N LIG 1 7.911 0.176 0.441 0.00 0.00 -0.297 NA ATOM 36 C LIG 1 9.293 0.145 0.946 0.00 0.00 +0.085 C ATOM 37 C LIG 1 9.710 -1.204 1.526 0.00 0.00 +0.015 C ATOM 38 C LIG 1 9.598 -2.316 0.484 0.00 0.00 +0.002 C ATOM 39 C LIG 1 8.504 -2.036 -0.545 0.00 0.00 +0.015 C ATOM 40 C LIG 1 7.405 -1.152 0.041 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6