REMARK Name = BDB038598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.279 -1.058 -0.517 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.607 -2.073 -1.349 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.878 -2.548 -1.381 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.851 -1.994 -0.553 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.539 -0.934 0.304 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.219 -0.475 0.320 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.334 1.165 -0.345 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.043 1.329 0.184 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.048 0.469 -0.245 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.631 0.434 0.141 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.057 -0.622 -0.556 0.00 0.00 -0.248 N ATOM 12 C LIG 1 1.014 -1.300 -1.416 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.138 1.232 0.917 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.278 -0.547 -1.165 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.540 -0.736 -1.694 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.567 0.122 -1.278 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 6.140 2.768 -1.077 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.456 2.089 0.117 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 6.393 1.329 0.950 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 6.942 0.704 0.366 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.284 2.171 1.736 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 8.158 1.386 2.673 0.00 0.00 +0.003 C ATOM 23 C LIG 1 8.894 0.135 2.253 0.00 0.00 +0.005 C ATOM 24 C LIG 1 7.761 0.044 3.243 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.571 -0.312 1.158 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.757 0.260 0.637 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.730 0.782 1.509 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.529 0.774 2.892 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.351 0.238 3.412 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.387 -0.301 2.555 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -6.036 0.320 -0.797 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -5.365 1.075 -1.727 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -4.294 2.012 -1.515 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -5.938 0.796 -2.931 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -6.918 -0.058 -2.763 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -6.991 -0.346 -1.420 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -7.523 1.319 3.769 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.320 1.766 4.484 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.162 -3.672 -2.359 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.192 -4.741 -2.085 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.447 -3.715 -3.152 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 9