REMARK Name = BDB022761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.366 -0.124 -0.942 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.325 -1.010 0.178 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.195 -1.773 -0.049 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.383 -1.300 -1.188 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.323 -0.310 -1.768 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.216 -1.186 1.317 0.00 0.00 +0.248 C ATOM 7 N LIG 1 2.983 -0.098 1.650 0.00 0.00 -0.307 N ATOM 8 H LIG 1 2.880 0.769 1.128 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.253 -2.240 1.947 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 3.948 -0.128 2.719 0.00 0.00 +0.141 C BRANCH 10 11 ATOM 11 C LIG 1 5.335 -0.375 2.174 0.00 0.00 -0.009 A ATOM 12 C LIG 1 6.174 0.671 1.728 0.00 0.00 +0.098 A ATOM 13 C LIG 1 7.450 0.384 1.201 0.00 0.00 +0.138 A ATOM 14 C LIG 1 7.876 -0.946 1.115 0.00 0.00 +0.047 A ATOM 15 C LIG 1 7.045 -1.982 1.539 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.784 -1.701 2.059 0.00 0.00 +0.006 A BRANCH 12 17 ATOM 17 C LIG 1 5.731 2.038 1.810 0.00 0.00 +0.103 C ATOM 18 N LIG 1 5.336 3.126 1.906 0.00 0.00 -0.191 NA ENDBRANCH 12 17 BRANCH 13 19 ATOM 19 O LIG 1 8.202 1.461 0.805 0.00 0.00 -0.494 OA ATOM 20 C LIG 1 9.462 1.203 0.197 0.00 0.00 +0.277 C ENDBRANCH 13 19 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 21 ATOM 21 C LIG 1 2.404 0.899 -1.286 0.00 0.00 +0.217 C BRANCH 21 23 ATOM 22 C LIG 1 1.634 2.899 -0.273 0.00 0.00 +0.194 C ATOM 23 O LIG 1 2.604 1.856 -0.234 0.00 0.00 -0.377 OA ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 4 24 ATOM 24 C LIG 1 -1.598 -1.800 -1.818 0.00 0.00 +0.178 C BRANCH 24 25 ATOM 25 C LIG 1 -2.835 -1.273 -1.135 0.00 0.00 -0.026 A ATOM 26 C LIG 1 -3.242 0.054 -1.333 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.383 0.549 -0.699 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.139 -0.270 0.150 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.732 -1.596 0.349 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.590 -2.093 -0.285 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -6.379 0.271 0.827 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 N LIG 1 -7.516 0.375 -0.086 0.00 0.00 -0.311 N ATOM 33 C LIG 1 -7.805 1.616 -0.652 0.00 0.00 +0.252 A ATOM 34 O LIG 1 -7.187 2.655 -0.431 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -8.962 1.651 -1.589 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -9.653 0.534 -1.853 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -9.286 -0.714 -1.237 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -8.250 -0.761 -0.390 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 11