REMARK Name = BDB058036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.219 -1.792 -1.114 0.00 0.00 -0.021 A ATOM 2 C LIG 1 3.210 -0.656 -1.938 0.00 0.00 +0.009 A ATOM 3 C LIG 1 2.039 -0.268 -2.595 0.00 0.00 +0.013 A ATOM 4 C LIG 1 0.871 -1.014 -2.427 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.878 -2.172 -1.644 0.00 0.00 +0.013 A ATOM 6 C LIG 1 2.051 -2.556 -0.988 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 6.331 1.607 1.784 0.00 0.00 +0.079 A ATOM 8 C LIG 1 6.096 0.327 1.312 0.00 0.00 +0.152 A ATOM 9 O LIG 1 5.044 -0.086 0.523 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 5.235 -1.443 0.295 0.00 0.00 +0.176 C ATOM 11 C LIG 1 6.460 -1.925 0.981 0.00 0.00 +0.231 C ATOM 12 O LIG 1 6.935 -3.039 1.008 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 4.437 -2.239 -0.429 0.00 0.00 +0.058 C ATOM 14 C LIG 1 6.971 -0.717 1.620 0.00 0.00 +0.068 A ATOM 15 C LIG 1 8.102 -0.550 2.395 0.00 0.00 +0.015 A ATOM 16 C LIG 1 8.357 0.735 2.875 0.00 0.00 +0.002 A ATOM 17 C LIG 1 7.482 1.800 2.573 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 4.330 2.580 0.759 0.00 0.00 -0.325 N ATOM 19 H LIG 1 3.727 3.378 0.604 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 4.031 1.676 0.420 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 5.456 2.776 1.507 0.00 0.00 +0.245 C ATOM 22 O LIG 1 5.728 3.891 1.938 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -0.346 -0.612 -3.160 0.00 0.00 +0.247 C ATOM 24 N LIG 1 -1.505 -0.314 -2.446 0.00 0.00 -0.297 N ATOM 25 C LIG 1 -2.693 0.017 -3.226 0.00 0.00 +0.109 C ATOM 26 C LIG 1 -3.884 0.426 -2.367 0.00 0.00 +0.030 C ATOM 27 C LIG 1 -4.085 -0.545 -1.194 0.00 0.00 +0.058 C ATOM 28 C LIG 1 -2.779 -0.815 -0.417 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -1.583 -0.075 -1.005 0.00 0.00 +0.109 C ATOM 30 O LIG 1 -0.280 -0.571 -4.387 0.00 0.00 -0.270 OA BRANCH 27 31 ATOM 31 C LIG 1 -5.154 -0.026 -0.278 0.00 0.00 +0.111 A ATOM 32 N LIG 1 -6.377 -0.640 -0.145 0.00 0.00 -0.342 N ATOM 33 H LIG 1 -6.677 -1.476 -0.627 0.00 0.00 +0.167 HD ATOM 34 C LIG 1 -7.125 0.080 0.750 0.00 0.00 +0.066 A ATOM 35 C LIG 1 -6.293 1.127 1.128 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -6.759 2.073 2.054 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -8.055 1.928 2.568 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -8.870 0.864 2.168 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -8.421 -0.089 1.246 0.00 0.00 +0.028 A ATOM 40 N LIG 1 -5.081 1.046 0.485 0.00 0.00 -0.232 NA ENDBRANCH 27 31 ENDBRANCH 4 23 TORSDOF 4