REMARK Name = BDB053208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.718 -2.696 0.991 0.00 0.00 +0.217 A ATOM 2 N LIG 1 1.544 -2.686 0.350 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.279 -1.669 -0.484 0.00 0.00 +0.127 A ATOM 4 C LIG 1 2.213 -0.674 -0.699 0.00 0.00 +0.072 A ATOM 5 C LIG 1 3.404 -0.747 -0.004 0.00 0.00 +0.078 A ATOM 6 N LIG 1 3.662 -1.764 0.840 0.00 0.00 -0.214 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.476 0.264 -0.141 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.178 1.628 -0.348 0.00 0.00 +0.037 A ATOM 9 C LIG 1 5.242 2.533 -0.474 0.00 0.00 +0.068 A ATOM 10 C LIG 1 6.576 2.153 -0.404 0.00 0.00 +0.041 A ATOM 11 C LIG 1 7.302 3.360 -0.583 0.00 0.00 +0.146 A ATOM 12 N LIG 1 6.504 4.409 -0.756 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 6.882 0.799 -0.186 0.00 0.00 +0.014 A ATOM 14 N LIG 1 5.270 3.888 -0.666 0.00 0.00 -0.275 N ATOM 15 H LIG 1 4.479 4.516 -0.750 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 5.829 -0.120 -0.056 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 8.641 3.452 -0.598 0.00 0.00 -0.341 N ATOM 18 H LIG 1 9.193 2.641 -0.847 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 9.012 4.320 -0.968 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 0.056 -1.634 -1.182 0.00 0.00 -0.307 N ATOM 21 C LIG 1 -0.740 -2.891 -1.135 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -0.188 -3.892 -2.149 0.00 0.00 +0.030 C ATOM 23 C LIG 1 -2.218 -2.580 -1.466 0.00 0.00 +0.183 C ATOM 24 O LIG 1 -2.833 -1.708 -0.505 0.00 0.00 -0.364 OA ATOM 25 C LIG 1 -1.935 -0.691 -0.009 0.00 0.00 +0.221 C ATOM 26 C LIG 1 -0.742 -0.403 -0.939 0.00 0.00 +0.148 C BRANCH 25 27 ATOM 27 C LIG 1 -2.731 0.600 0.225 0.00 0.00 +0.244 C ATOM 28 N LIG 1 -3.990 0.366 0.748 0.00 0.00 -0.310 N ATOM 29 H LIG 1 -4.327 -0.586 0.619 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 -2.282 1.723 0.015 0.00 0.00 -0.273 OA BRANCH 28 31 ATOM 31 C LIG 1 -4.965 1.430 0.922 0.00 0.00 +0.073 C ATOM 32 C LIG 1 -5.636 1.781 -0.413 0.00 0.00 +0.022 C ATOM 33 C LIG 1 -6.715 2.846 -0.239 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -7.744 2.440 0.811 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -7.082 2.093 2.141 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -6.006 1.024 1.971 0.00 0.00 +0.022 C ENDBRANCH 28 31 ENDBRANCH 25 27 ENDBRANCH 3 20 BRANCH 1 38 ATOM 37 C LIG 1 4.290 -4.210 1.949 0.00 0.00 +0.128 C ATOM 38 N LIG 1 2.918 -3.768 1.851 0.00 0.00 -0.316 N ATOM 39 H LIG 1 2.248 -4.476 1.573 0.00 0.00 +0.149 HD ENDBRANCH 1 38 TORSDOF 6