REMARK Name = BDB031793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.618 0.938 -2.028 0.00 0.00 -0.006 A ATOM 2 C LIG 1 0.796 0.049 -2.742 0.00 0.00 +0.152 A ATOM 3 F LIG 1 1.228 -0.514 -3.879 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -0.475 -0.251 -2.261 0.00 0.00 +0.103 A ATOM 5 C LIG 1 -0.994 0.300 -1.099 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -2.305 -0.264 -0.975 0.00 0.00 +0.154 A ATOM 7 N LIG 1 -2.555 -1.107 -1.981 0.00 0.00 -0.157 NA ATOM 8 C LIG 1 -0.195 1.206 -0.377 0.00 0.00 +0.014 A ATOM 9 N LIG 1 -1.453 -1.069 -2.740 0.00 0.00 -0.272 N ATOM 10 H LIG 1 -1.427 -1.637 -3.580 0.00 0.00 +0.189 HD ATOM 11 C LIG 1 1.091 1.513 -0.857 0.00 0.00 +0.007 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 3.871 -1.285 1.417 0.00 0.00 +0.120 A ATOM 13 C LIG 1 3.581 -0.826 0.123 0.00 0.00 +0.052 A ATOM 14 C LIG 1 4.288 0.249 -0.395 0.00 0.00 -0.007 A ATOM 15 C LIG 1 4.248 0.978 -1.708 0.00 0.00 +0.081 C ATOM 16 C LIG 1 3.003 1.309 -2.507 0.00 0.00 +0.043 C ATOM 17 C LIG 1 5.348 2.008 -1.589 0.00 0.00 +0.228 C ATOM 18 N LIG 1 5.899 1.869 -0.328 0.00 0.00 -0.284 N ATOM 19 H LIG 1 6.663 2.441 -0.002 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 5.666 2.806 -2.454 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 3.978 0.257 -2.997 0.00 0.00 +0.031 C ATOM 22 C LIG 1 5.292 0.836 0.389 0.00 0.00 +0.038 A ATOM 23 C LIG 1 5.606 0.411 1.662 0.00 0.00 +0.027 A ATOM 24 C LIG 1 4.878 -0.665 2.179 0.00 0.00 +0.047 A BRANCH 12 26 ATOM 25 C LIG 1 3.356 -2.870 3.118 0.00 0.00 +0.277 C ATOM 26 O LIG 1 3.104 -2.345 1.821 0.00 0.00 -0.495 OA ENDBRANCH 12 26 ENDBRANCH 1 16 BRANCH 6 27 ATOM 27 N LIG 1 -3.112 0.047 0.065 0.00 0.00 -0.279 N ATOM 28 H LIG 1 -2.798 0.725 0.748 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.487 -0.230 0.271 0.00 0.00 +0.170 A ATOM 30 C LIG 1 -5.028 0.094 1.519 0.00 0.00 +0.178 A ATOM 31 C LIG 1 -6.362 -0.217 1.691 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -7.128 -0.800 0.749 0.00 0.00 -0.237 NA ATOM 33 C LIG 1 -6.516 -1.086 -0.414 0.00 0.00 +0.128 A ATOM 34 C LIG 1 -7.335 -1.712 -1.498 0.00 0.00 +0.088 C ATOM 35 N LIG 1 -5.232 -0.812 -0.688 0.00 0.00 -0.214 NA BRANCH 30 36 ATOM 36 O LIG 1 -4.202 0.697 2.431 0.00 0.00 -0.490 OA ATOM 37 C LIG 1 -4.751 0.936 3.723 0.00 0.00 +0.277 C ENDBRANCH 30 36 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 5