REMARK Name = BDB000361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.407 -2.374 -0.601 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.931 -3.190 -0.622 0.00 0.00 -0.014 C ATOM 3 C LIG 1 1.489 -3.452 -2.020 0.00 0.00 +0.007 C ATOM 4 C LIG 1 0.817 -4.512 0.150 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.214 -0.894 -1.003 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 0.800 -0.133 -0.175 0.00 0.00 -0.043 A ATOM 7 C LIG 1 1.974 0.350 -0.763 0.00 0.00 +0.053 A ATOM 8 C LIG 1 2.919 1.038 0.004 0.00 0.00 +0.162 A ATOM 9 C LIG 1 2.692 1.300 1.364 0.00 0.00 +0.162 A ATOM 10 C LIG 1 1.516 0.823 1.948 0.00 0.00 +0.049 A ATOM 11 C LIG 1 0.580 0.113 1.186 0.00 0.00 +0.007 A BRANCH 9 12 ATOM 12 O LIG 1 3.652 2.022 2.020 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 3.398 2.372 3.373 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 4.030 1.490 -0.664 0.00 0.00 -0.488 OA BRANCH 14 15 ATOM 15 C LIG 1 5.203 0.764 -0.270 0.00 0.00 +0.229 C BRANCH 15 16 ATOM 16 C LIG 1 6.257 0.955 -1.359 0.00 0.00 +0.043 C BRANCH 16 17 ATOM 17 C LIG 1 7.521 0.119 -1.144 0.00 0.00 +0.031 C BRANCH 17 18 ATOM 18 C LIG 1 8.258 0.408 0.160 0.00 0.00 +0.159 C BRANCH 18 19 ATOM 19 O LIG 1 8.577 1.794 0.227 0.00 0.00 -0.383 OA ATOM 20 C LIG 1 9.236 2.127 1.441 0.00 0.00 +0.193 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -1.600 -3.093 -1.305 0.00 0.00 +0.025 C BRANCH 21 22 ATOM 22 C LIG 1 -2.198 -2.614 -2.647 0.00 0.00 +0.080 C BRANCH 22 23 ATOM 23 N LIG 1 -1.184 -2.618 -3.710 0.00 0.00 -0.325 NA ATOM 24 H LIG 1 -0.945 -3.577 -3.957 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -1.599 -2.199 -4.547 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 -2.978 -1.264 -2.688 0.00 0.00 +0.132 C BRANCH 26 27 ATOM 27 O LIG 1 -3.640 -1.190 -3.964 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -4.288 -1.915 -4.003 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -4.012 -1.100 -1.566 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 -4.651 0.305 -1.488 0.00 0.00 +0.074 C ATOM 31 C LIG 1 -5.636 0.592 -2.623 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 -5.705 1.776 0.149 0.00 0.00 -0.315 N ATOM 33 H LIG 1 -5.358 2.517 -0.447 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -5.365 0.472 -0.143 0.00 0.00 +0.216 C ATOM 35 O LIG 1 -5.617 -0.469 0.605 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 -6.322 2.143 1.407 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 -5.275 2.367 2.496 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 -6.653 3.982 3.910 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -5.881 2.672 3.866 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 21