REMARK Name = BDB007903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.769 -1.774 -0.060 0.00 0.00 +0.317 C ATOM 2 O LIG 1 0.548 -1.156 -1.093 0.00 0.00 -0.250 OA ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 2.030 -2.070 0.467 0.00 0.00 -0.426 OA BRANCH 3 7 ATOM 4 C LIG 1 5.411 -0.638 -1.549 0.00 0.00 -0.044 A ATOM 5 C LIG 1 4.447 0.267 -1.079 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.309 -0.193 -0.415 0.00 0.00 +0.046 A ATOM 7 C LIG 1 3.130 -1.563 -0.236 0.00 0.00 +0.132 A ATOM 8 C LIG 1 4.086 -2.475 -0.675 0.00 0.00 +0.046 A ATOM 9 C LIG 1 5.224 -2.012 -1.337 0.00 0.00 +0.007 A BRANCH 4 10 ATOM 10 C LIG 1 6.652 -0.137 -2.253 0.00 0.00 +0.078 C BRANCH 10 11 ATOM 11 C LIG 1 7.846 0.001 -1.305 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 9.111 0.195 -2.140 0.00 0.00 +0.334 C ATOM 13 O LIG 1 9.585 -0.643 -2.892 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 9.663 1.422 -1.961 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 9.096 1.912 -1.319 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 7.699 1.185 -0.486 0.00 0.00 -0.365 OA BRANCH 16 18 ATOM 17 C LIG 1 7.315 2.155 1.661 0.00 0.00 +0.034 C ATOM 18 C LIG 1 7.537 0.864 0.898 0.00 0.00 +0.157 C ENDBRANCH 16 18 ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 4 10 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.269 -2.402 0.848 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -1.670 -1.882 0.638 0.00 0.00 -0.037 A ATOM 21 C LIG 1 -2.224 -0.945 1.519 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -3.521 -0.457 1.323 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -4.284 -0.892 0.239 0.00 0.00 +0.036 A ATOM 24 C LIG 1 -3.731 -1.823 -0.646 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -2.436 -2.314 -0.451 0.00 0.00 +0.006 A BRANCH 23 26 ATOM 26 N LIG 1 -5.589 -0.448 -0.027 0.00 0.00 -0.251 N ATOM 27 H LIG 1 -6.058 -0.814 -0.843 0.00 0.00 +0.158 HD ATOM 28 C LIG 1 -6.345 0.450 0.673 0.00 0.00 +0.405 C ATOM 29 O LIG 1 -6.041 1.049 1.690 0.00 0.00 -0.226 OA BRANCH 28 30 ATOM 30 O LIG 1 -7.535 0.570 0.030 0.00 0.00 -0.444 OA BRANCH 30 31 ATOM 31 C LIG 1 -8.565 1.465 0.526 0.00 0.00 +0.107 C ATOM 32 C LIG 1 -9.729 1.304 -0.464 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -8.095 2.924 0.494 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -9.048 1.047 1.919 0.00 0.00 +0.055 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13