REMARK Name = BDB060087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.356 1.088 0.237 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -1.198 1.045 1.020 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -0.148 0.232 0.575 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.209 -0.495 -0.616 0.00 0.00 +0.131 A ATOM 5 N LIG 1 0.959 -1.204 -0.793 0.00 0.00 -0.225 NA ATOM 6 C LIG 1 1.739 -0.910 0.230 0.00 0.00 +0.148 A ATOM 7 C LIG 1 -1.374 -0.410 -1.415 0.00 0.00 +0.152 A ATOM 8 N LIG 1 1.091 -0.059 1.098 0.00 0.00 -0.328 N ATOM 9 C LIG 1 1.616 0.451 2.343 0.00 0.00 +0.150 C ATOM 10 C LIG 1 -2.443 0.383 -0.965 0.00 0.00 +0.094 A ENDROOT BRANCH 1 11 ATOM 11 O LIG 1 -3.359 1.920 0.690 0.00 0.00 -0.454 OA BRANCH 11 17 ATOM 12 C LIG 1 -8.731 0.366 0.197 0.00 0.00 +0.065 C ATOM 13 C LIG 1 -7.288 0.745 0.343 0.00 0.00 +0.039 A ATOM 14 N LIG 1 -6.912 1.954 -0.138 0.00 0.00 -0.253 NA ATOM 15 C LIG 1 -5.607 2.311 -0.016 0.00 0.00 +0.081 A ATOM 16 C LIG 1 -5.223 3.659 -0.554 0.00 0.00 +0.069 C ATOM 17 C LIG 1 -4.654 1.478 0.569 0.00 0.00 +0.149 A ATOM 18 C LIG 1 -5.064 0.248 1.081 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -6.398 -0.129 0.959 0.00 0.00 +0.026 A ENDBRANCH 11 17 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 3.119 -1.447 0.443 0.00 0.00 +0.303 C BRANCH 20 21 ATOM 21 O LIG 1 3.981 -0.332 0.673 0.00 0.00 -0.484 OA BRANCH 21 22 ATOM 22 C LIG 1 5.290 -0.608 0.959 0.00 0.00 +0.122 A ATOM 23 C LIG 1 6.058 0.511 1.295 0.00 0.00 +0.060 A ATOM 24 C LIG 1 7.414 0.372 1.615 0.00 0.00 +0.062 A ATOM 25 C LIG 1 8.004 -0.896 1.594 0.00 0.00 +0.015 A ATOM 26 C LIG 1 7.241 -2.013 1.254 0.00 0.00 +0.004 A ATOM 27 C LIG 1 5.887 -1.870 0.936 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 8.258 1.534 1.984 0.00 0.00 +0.337 C ATOM 29 O LIG 1 9.442 1.496 2.258 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 7.576 2.692 1.999 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 8.250 3.358 2.253 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 BRANCH 7 32 ATOM 32 O LIG 1 -1.626 -1.072 -2.609 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 -0.489 -1.490 -3.373 0.00 0.00 +0.167 C ATOM 34 C LIG 1 -0.822 -1.212 -4.837 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -0.265 -2.985 -3.165 0.00 0.00 +0.051 C ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 9