REMARK Name = BDB000464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.384 -1.965 1.150 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -6.199 0.812 0.155 0.00 0.00 +0.030 C ATOM 3 C LIG 1 -5.004 -0.059 0.444 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.819 0.606 0.106 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.574 0.030 0.322 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.517 -1.248 0.881 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -3.709 -1.913 1.218 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.104 1.969 -0.445 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -4.960 -1.321 1.010 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.580 1.822 -0.838 0.00 0.00 +0.013 C BRANCH 2 11 ATOM 11 C LIG 1 -7.402 0.076 -0.420 0.00 0.00 +0.128 C BRANCH 11 13 ATOM 12 O LIG 1 -8.798 1.610 -1.648 0.00 0.00 -0.251 OA ATOM 13 C LIG 1 -8.558 1.021 -0.606 0.00 0.00 +0.305 C BRANCH 13 14 ATOM 14 O LIG 1 -9.302 1.190 0.510 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -9.004 0.665 1.277 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 C LIG 1 -0.111 -1.355 0.927 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 0.349 -1.588 -0.511 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 1.672 -0.894 -0.810 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 2.672 -1.405 0.069 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 3.929 -0.880 -0.042 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.340 0.086 -0.959 0.00 0.00 +0.046 A ATOM 22 C LIG 1 5.667 0.537 -0.961 0.00 0.00 +0.012 A ATOM 23 C LIG 1 6.603 0.026 -0.052 0.00 0.00 -0.015 A ATOM 24 C LIG 1 6.182 -0.943 0.866 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.857 -1.391 0.867 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 7.974 0.509 -0.068 0.00 0.00 +0.020 A ATOM 27 C LIG 1 9.076 -0.246 0.284 0.00 0.00 +0.203 A ATOM 28 O LIG 1 10.220 0.476 0.157 0.00 0.00 -0.470 OA ATOM 29 C LIG 1 9.861 1.707 -0.286 0.00 0.00 +0.195 A ATOM 30 C LIG 1 8.497 1.779 -0.446 0.00 0.00 +0.049 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10