REMARK Name = BDB055677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.100 0.602 0.709 0.00 0.00 +0.120 C ATOM 2 C LIG 1 1.279 0.194 0.276 0.00 0.00 -0.021 A ATOM 3 C LIG 1 2.245 0.651 1.177 0.00 0.00 -0.042 A ATOM 4 C LIG 1 3.591 0.384 0.979 0.00 0.00 +0.012 A ATOM 5 C LIG 1 3.986 -0.328 -0.167 0.00 0.00 -0.017 A ATOM 6 C LIG 1 2.999 -0.776 -1.075 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.620 1.363 2.336 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.643 -0.513 -0.860 0.00 0.00 +0.006 A ATOM 9 C LIG 1 0.192 1.619 1.832 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -0.756 -1.719 1.675 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -1.007 -0.472 1.104 0.00 0.00 -0.316 N ATOM 12 C LIG 1 -2.379 -0.376 0.965 0.00 0.00 +0.135 A ATOM 13 C LIG 1 -2.852 -1.590 1.372 0.00 0.00 +0.096 A ATOM 14 C LIG 1 -4.234 -1.867 1.339 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -5.074 -0.911 0.902 0.00 0.00 +0.091 A ATOM 16 N LIG 1 -4.612 0.347 0.488 0.00 0.00 -0.309 N ATOM 17 C LIG 1 -3.238 0.692 0.512 0.00 0.00 +0.277 A ATOM 18 O LIG 1 -2.817 1.800 0.191 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 -1.879 -2.415 1.804 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 0.491 -3.496 2.945 0.00 0.00 +0.012 C ATOM 21 C LIG 1 0.586 -2.231 2.100 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 -5.570 1.347 0.025 0.00 0.00 +0.165 C BRANCH 22 23 ATOM 23 C LIG 1 -5.962 1.077 -1.387 0.00 0.00 +0.037 A ATOM 24 C LIG 1 -7.082 0.419 -1.853 0.00 0.00 +0.139 A ATOM 25 C LIG 1 -8.240 -0.238 -1.219 0.00 0.00 +0.089 C ATOM 26 O LIG 1 -7.063 0.392 -3.211 0.00 0.00 -0.359 OA ATOM 27 N LIG 1 -5.939 1.044 -3.670 0.00 0.00 -0.083 NA ATOM 28 C LIG 1 -5.284 1.460 -2.580 0.00 0.00 +0.086 A ATOM 29 C LIG 1 -4.017 2.214 -2.732 0.00 0.00 +0.069 C ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 30 ATOM 30 C LIG 1 5.410 -0.599 -0.425 0.00 0.00 -0.007 A ATOM 31 C LIG 1 6.348 0.406 -0.770 0.00 0.00 +0.028 A ATOM 32 C LIG 1 7.699 0.042 -0.940 0.00 0.00 +0.012 A ATOM 33 C LIG 1 8.122 -1.279 -0.797 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.202 -2.267 -0.476 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.861 -1.929 -0.289 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 6.010 1.821 -0.969 0.00 0.00 +0.180 A ATOM 37 N LIG 1 4.803 2.317 -1.384 0.00 0.00 -0.239 N ATOM 38 H LIG 1 3.944 1.833 -1.608 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 4.850 3.652 -1.484 0.00 0.00 -0.046 NA ATOM 40 N LIG 1 6.088 3.976 -1.147 0.00 0.00 -0.023 NA ATOM 41 N LIG 1 6.820 2.857 -0.836 0.00 0.00 -0.108 NA ENDBRANCH 31 36 ENDBRANCH 5 30 TORSDOF 6