REMARK Name = BDB044756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.496 -1.393 0.169 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -3.701 -2.222 0.973 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -2.321 -2.321 0.754 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.719 -1.592 -0.271 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -2.513 -0.774 -1.078 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.889 -0.671 -0.863 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -5.982 -1.267 0.425 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 -6.303 -0.395 1.646 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 -5.864 1.032 1.504 0.00 0.00 -0.335 N ATOM 10 H LIG 1 -4.863 1.091 1.730 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 -7.251 1.833 -0.335 0.00 0.00 +0.064 C ATOM 12 C LIG 1 -6.151 1.907 0.440 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -5.123 3.012 0.257 0.00 0.00 +0.060 C BRANCH 11 15 ATOM 14 C LIG 1 -9.015 2.918 -1.813 0.00 0.00 +0.091 C ATOM 15 C LIG 1 -7.556 2.722 -1.496 0.00 0.00 +0.154 C ATOM 16 O LIG 1 -6.670 3.229 -2.176 0.00 0.00 -0.293 OA ENDBRANCH 11 15 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 17 ATOM 17 C LIG 1 -7.783 -0.463 2.040 0.00 0.00 +0.326 C ATOM 18 O LIG 1 -8.507 -1.440 1.928 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 OXT LIG 1 -8.209 0.711 2.579 0.00 0.00 -0.479 OA ATOM 20 HXT LIG 1 -7.456 1.349 2.505 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 8 17 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 O LIG 1 -0.394 -1.587 -0.596 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 0.544 -2.234 0.270 0.00 0.00 +0.270 C BRANCH 22 23 ATOM 23 C LIG 1 0.904 -1.365 1.479 0.00 0.00 +0.270 C BRANCH 23 24 ATOM 24 O LIG 1 1.547 -0.147 1.089 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 2.886 -0.153 0.826 0.00 0.00 +0.121 A ATOM 26 C LIG 1 3.385 1.062 0.354 0.00 0.00 +0.046 A ATOM 27 C LIG 1 4.739 1.206 0.033 0.00 0.00 +0.011 A ATOM 28 C LIG 1 5.620 0.129 0.172 0.00 0.00 -0.025 A ATOM 29 C LIG 1 5.119 -1.083 0.666 0.00 0.00 +0.011 A ATOM 30 C LIG 1 3.762 -1.226 0.986 0.00 0.00 +0.046 A BRANCH 28 31 ATOM 31 C LIG 1 7.041 0.324 -0.148 0.00 0.00 +0.008 C ATOM 32 C LIG 1 7.830 -0.624 -0.680 0.00 0.00 +0.008 C BRANCH 32 33 ATOM 33 C LIG 1 9.248 -0.409 -0.998 0.00 0.00 -0.025 A ATOM 34 C LIG 1 10.179 -1.403 -0.664 0.00 0.00 +0.008 A ATOM 35 C LIG 1 11.530 -1.246 -0.984 0.00 0.00 +0.001 A ATOM 36 C LIG 1 11.961 -0.100 -1.648 0.00 0.00 +0.000 A ATOM 37 C LIG 1 11.042 0.889 -1.996 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.690 0.734 -1.675 0.00 0.00 +0.008 A ENDBRANCH 32 33 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 14