REMARK Name = BDB002459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.369 0.596 0.227 0.00 0.00 +0.161 C ATOM 2 C LIG 1 -1.022 0.350 -0.399 0.00 0.00 +0.129 C ATOM 3 N LIG 1 -1.691 -0.675 0.390 0.00 0.00 -0.286 N ATOM 4 C LIG 1 -0.931 -1.115 1.442 0.00 0.00 +0.283 C ATOM 5 O LIG 1 -1.153 -2.022 2.215 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 0.312 -0.244 1.461 0.00 0.00 +0.230 C ATOM 7 O LIG 1 1.104 -0.231 2.388 0.00 0.00 -0.286 OA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -1.837 1.634 -0.510 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.266 2.374 0.615 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.063 3.527 0.452 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -3.358 3.973 -0.841 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -2.897 3.275 -1.957 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -2.149 2.113 -1.794 0.00 0.00 +0.009 A BRANCH 9 14 ATOM 14 O LIG 1 -1.903 1.858 1.836 0.00 0.00 -0.491 OA ATOM 15 C LIG 1 -1.447 2.807 2.797 0.00 0.00 +0.277 C ENDBRANCH 9 14 BRANCH 10 16 ATOM 16 O LIG 1 -3.520 4.143 1.588 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -4.458 5.200 1.442 0.00 0.00 +0.277 C ENDBRANCH 10 16 ENDBRANCH 2 8 BRANCH 1 18 ATOM 18 C LIG 1 1.427 0.240 -0.784 0.00 0.00 +0.178 C ATOM 19 O LIG 1 1.359 0.696 -1.927 0.00 0.00 -0.291 OA BRANCH 18 23 ATOM 20 C LIG 1 4.432 -1.499 0.512 0.00 0.00 +0.128 A ATOM 21 C LIG 1 3.624 -0.363 0.488 0.00 0.00 -0.008 A ATOM 22 C LIG 1 3.842 0.903 1.248 0.00 0.00 +0.047 C ATOM 23 C LIG 1 2.540 -0.631 -0.416 0.00 0.00 +0.042 A ATOM 24 C LIG 1 2.744 -1.895 -0.942 0.00 0.00 +0.024 A ATOM 25 C LIG 1 1.973 -2.684 -1.937 0.00 0.00 +0.064 C ATOM 26 N LIG 1 3.872 -2.406 -0.359 0.00 0.00 -0.352 N ATOM 27 H LIG 1 4.266 -3.323 -0.536 0.00 0.00 +0.166 HD BRANCH 20 28 ATOM 28 C LIG 1 5.642 -1.834 1.233 0.00 0.00 +0.356 C ATOM 29 O LIG 1 6.233 -2.901 1.116 0.00 0.00 -0.243 OA BRANCH 28 31 ATOM 30 C LIG 1 7.211 -1.087 2.796 0.00 0.00 +0.280 C ATOM 31 O LIG 1 6.031 -0.814 2.043 0.00 0.00 -0.463 OA ENDBRANCH 28 31 ENDBRANCH 20 28 ENDBRANCH 18 23 ENDBRANCH 1 18 BRANCH 3 32 ATOM 32 C LIG 1 -2.917 -1.337 -0.030 0.00 0.00 +0.124 C BRANCH 32 33 ATOM 33 C LIG 1 -2.677 -2.667 -0.778 0.00 0.00 +0.102 C BRANCH 33 34 ATOM 34 N LIG 1 -1.921 -2.543 -2.043 0.00 0.00 -0.307 NA ATOM 35 C LIG 1 -1.530 -3.877 -2.514 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -2.715 -1.879 -3.081 0.00 0.00 +0.104 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 3 32 TORSDOF 10