REMARK Name = BDB032207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.468 -0.119 -0.864 0.00 0.00 +0.215 A ATOM 2 N LIG 1 0.021 -0.285 0.399 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 -1.308 -0.488 0.550 0.00 0.00 +0.119 A ATOM 4 C LIG 1 -2.217 -0.546 -0.502 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -1.717 -0.360 -1.794 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -0.354 -0.145 -1.979 0.00 0.00 +0.067 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.810 0.097 -1.101 0.00 0.00 -0.476 OA BRANCH 7 8 ATOM 8 C LIG 1 2.604 0.083 0.089 0.00 0.00 +0.234 C BRANCH 8 12 ATOM 9 N LIG 1 6.921 -0.490 -0.275 0.00 0.00 -0.300 NA ATOM 10 C LIG 1 6.424 0.608 0.577 0.00 0.00 +0.085 C ATOM 11 C LIG 1 4.948 0.441 0.946 0.00 0.00 +0.022 C ATOM 12 C LIG 1 4.069 0.326 -0.297 0.00 0.00 +0.029 C ATOM 13 C LIG 1 4.612 -0.791 -1.191 0.00 0.00 +0.022 C ATOM 14 C LIG 1 6.099 -0.591 -1.497 0.00 0.00 +0.085 C BRANCH 9 16 ATOM 15 C LIG 1 8.907 -1.489 -1.453 0.00 0.00 +0.024 C ATOM 16 C LIG 1 8.367 -0.332 -0.594 0.00 0.00 +0.050 C ATOM 17 C LIG 1 9.241 -0.260 0.672 0.00 0.00 +0.024 C ENDBRANCH 9 16 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 18 ATOM 18 C LIG 1 -3.680 -0.773 -0.242 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 N LIG 1 -4.273 0.451 0.276 0.00 0.00 -0.340 N ATOM 20 H LIG 1 -3.910 1.286 -0.180 0.00 0.00 +0.146 HD BRANCH 19 21 ATOM 21 C LIG 1 -5.654 0.527 0.477 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -6.477 -0.591 0.665 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -7.856 -0.466 0.934 0.00 0.00 -0.011 A ATOM 24 C LIG 1 -8.436 0.812 1.043 0.00 0.00 +0.022 A ATOM 25 C LIG 1 -9.823 0.879 1.302 0.00 0.00 +0.124 A ATOM 26 N LIG 1 -10.604 -0.205 1.470 0.00 0.00 -0.240 NA ATOM 27 C LIG 1 -10.011 -1.411 1.373 0.00 0.00 +0.113 A ATOM 28 C LIG 1 -7.598 1.936 0.906 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -8.666 -1.593 1.106 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -6.233 1.790 0.641 0.00 0.00 +0.023 A BRANCH 25 31 ATOM 31 N LIG 1 -10.495 2.101 1.412 0.00 0.00 -0.343 N ATOM 32 H LIG 1 -11.474 1.870 1.561 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 -10.368 2.654 0.572 0.00 0.00 +0.144 HD ENDBRANCH 25 31 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 8