REMARK Name = BDB000365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.442 -2.478 1.693 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.047 -2.369 1.308 0.00 0.00 +0.080 C BRANCH 2 3 ATOM 3 N LIG 1 -1.698 -3.665 1.056 0.00 0.00 -0.325 NA ATOM 4 H LIG 1 -1.280 -4.103 0.235 0.00 0.00 +0.119 HD ATOM 5 H LIG 1 -1.514 -4.289 1.843 0.00 0.00 +0.119 HD ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -1.436 -1.404 0.152 0.00 0.00 +0.132 C BRANCH 6 7 ATOM 7 O LIG 1 -2.866 -1.485 -0.017 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 -3.069 -2.422 0.207 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -1.036 0.069 0.335 0.00 0.00 +0.045 C BRANCH 9 10 ATOM 10 C LIG 1 -1.780 0.808 1.469 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -0.788 1.642 2.285 0.00 0.00 +0.017 C BRANCH 10 14 ATOM 12 N LIG 1 -3.851 1.031 0.204 0.00 0.00 -0.315 N ATOM 13 H LIG 1 -3.718 0.029 0.057 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -2.896 1.707 0.924 0.00 0.00 +0.216 C ATOM 15 O LIG 1 -2.949 2.913 1.144 0.00 0.00 -0.276 OA BRANCH 12 16 ATOM 16 C LIG 1 -4.991 1.682 -0.406 0.00 0.00 +0.106 C BRANCH 16 17 ATOM 17 C LIG 1 -6.086 1.985 0.615 0.00 0.00 +0.047 C BRANCH 17 18 ATOM 18 C LIG 1 -7.402 2.364 -0.053 0.00 0.00 +0.161 C BRANCH 18 20 ATOM 19 C LIG 1 -8.419 3.886 -1.539 0.00 0.00 +0.193 C ATOM 20 O LIG 1 -7.210 3.490 -0.904 0.00 0.00 -0.383 OA ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 1.507 -3.275 0.881 0.00 0.00 -0.003 C BRANCH 21 22 ATOM 22 C LIG 1 1.681 -4.802 1.201 0.00 0.00 -0.014 C ATOM 23 C LIG 1 0.732 -5.779 0.509 0.00 0.00 +0.007 C ATOM 24 C LIG 1 1.727 -5.105 2.701 0.00 0.00 +0.007 C ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 1.537 -3.013 -0.644 0.00 0.00 +0.039 C BRANCH 25 26 ATOM 26 C LIG 1 1.850 -1.606 -1.117 0.00 0.00 -0.043 A ATOM 27 C LIG 1 2.744 -0.754 -0.444 0.00 0.00 +0.053 A ATOM 28 C LIG 1 2.996 0.544 -0.907 0.00 0.00 +0.162 A ATOM 29 C LIG 1 2.359 0.986 -2.074 0.00 0.00 +0.162 A ATOM 30 C LIG 1 1.524 0.130 -2.792 0.00 0.00 +0.049 A ATOM 31 C LIG 1 1.274 -1.157 -2.316 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 O LIG 1 2.636 2.246 -2.539 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 1.456 3.042 -2.667 0.00 0.00 +0.277 C ENDBRANCH 29 32 BRANCH 28 34 ATOM 34 O LIG 1 3.801 1.458 -0.282 0.00 0.00 -0.488 OA BRANCH 34 35 ATOM 35 C LIG 1 4.614 1.007 0.793 0.00 0.00 +0.231 C BRANCH 35 36 ATOM 36 C LIG 1 5.499 2.144 1.310 0.00 0.00 +0.069 C BRANCH 36 37 ATOM 37 C LIG 1 6.429 2.709 0.239 0.00 0.00 +0.163 C BRANCH 37 38 ATOM 38 O LIG 1 5.732 3.682 -0.532 0.00 0.00 -0.383 OA ATOM 39 C LIG 1 6.484 4.110 -1.657 0.00 0.00 +0.193 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 21