REMARK Name = BDB031729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.089 -1.871 -1.268 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.236 -1.268 -2.212 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.001 -0.773 -1.779 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.440 -0.862 -0.466 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.726 -0.232 -0.455 0.00 0.00 +0.154 A ATOM 6 N LIG 1 2.041 0.220 -1.673 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.393 -1.493 0.477 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.008 -0.137 -2.445 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.048 0.096 -3.429 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.637 -1.991 0.058 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.405 1.401 1.044 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.074 0.521 0.007 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.814 -0.644 -0.152 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.731 -1.792 -1.119 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.451 -2.397 -1.663 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.876 -2.694 -0.718 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.499 -2.101 0.366 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.301 -2.506 0.822 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.172 -3.743 -1.265 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.366 -1.588 -2.561 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.890 -0.894 0.714 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.255 -0.042 1.733 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.495 1.118 1.892 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.538 2.814 0.631 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.752 2.569 1.334 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.449 -0.124 0.681 0.00 0.00 -0.278 N ATOM 27 H LIG 1 2.105 -0.563 1.528 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.781 0.310 0.878 0.00 0.00 +0.187 A ATOM 29 C LIG 1 4.268 0.431 2.197 0.00 0.00 +0.256 A ATOM 30 N LIG 1 5.516 0.860 2.504 0.00 0.00 -0.217 NA ATOM 31 C LIG 1 6.280 1.184 1.438 0.00 0.00 +0.138 A ATOM 32 C LIG 1 5.832 1.087 0.124 0.00 0.00 +0.064 A ATOM 33 N LIG 1 4.583 0.646 -0.159 0.00 0.00 -0.230 NA BRANCH 29 34 ATOM 34 O LIG 1 3.404 0.059 3.220 0.00 0.00 -0.477 OA ATOM 35 C LIG 1 3.963 0.258 4.515 0.00 0.00 +0.279 C ENDBRANCH 29 34 BRANCH 32 36 ATOM 36 C LIG 1 6.742 1.464 -1.011 0.00 0.00 +0.085 C BRANCH 36 37 ATOM 37 C LIG 1 6.078 1.404 -2.383 0.00 0.00 +0.162 C BRANCH 37 38 ATOM 38 O LIG 1 7.024 1.800 -3.376 0.00 0.00 -0.395 OA ATOM 39 H LIG 1 6.561 1.741 -4.230 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8