REMARK Name = BDB034393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.619 -0.335 -0.836 0.00 0.00 +0.130 A ATOM 2 C LIG 1 4.347 -1.552 -0.209 0.00 0.00 +0.074 A ATOM 3 C LIG 1 3.049 -1.940 0.091 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.974 -1.088 -0.259 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.665 -1.525 0.076 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.498 -2.768 0.688 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.618 -3.515 0.982 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.263 0.129 -0.925 0.00 0.00 +0.015 A ATOM 9 N LIG 1 2.876 -3.124 0.698 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.576 0.498 -1.216 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.505 -0.792 -0.256 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.299 0.203 -0.300 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.110 -1.259 -1.509 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.443 -0.545 -1.744 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.513 -0.995 -0.743 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.829 -0.412 -1.013 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -5.050 -0.467 -2.005 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.939 0.973 -0.555 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -6.309 1.528 -0.837 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -7.277 1.640 0.148 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -7.133 1.306 1.461 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -8.446 1.606 1.972 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -9.332 2.163 0.982 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -8.535 2.135 -0.120 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -8.905 2.548 -1.382 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -7.957 2.448 -2.401 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.672 1.942 -2.132 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 O LIG 1 5.890 0.067 -1.175 0.00 0.00 -0.456 OA BRANCH 28 31 ATOM 29 C LIG 1 7.768 0.203 2.006 0.00 0.00 +0.124 A ATOM 30 C LIG 1 6.717 0.347 1.100 0.00 0.00 +0.091 A ATOM 31 C LIG 1 6.878 -0.075 -0.225 0.00 0.00 +0.132 A ATOM 32 C LIG 1 8.096 -0.598 -0.660 0.00 0.00 +0.046 A ATOM 33 C LIG 1 9.149 -0.735 0.241 0.00 0.00 +0.007 A ATOM 34 C LIG 1 8.982 -0.338 1.569 0.00 0.00 +0.046 A BRANCH 29 36 ATOM 35 C LIG 1 6.498 0.997 3.851 0.00 0.00 +0.277 C ATOM 36 O LIG 1 7.745 0.556 3.328 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 10