REMARK Name = BDB057457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.332 -1.039 -1.142 0.00 0.00 -0.027 A ATOM 2 C LIG 1 1.466 -1.794 -0.804 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.742 -1.205 -0.653 0.00 0.00 -0.002 A ATOM 4 C LIG 1 3.862 -2.117 -0.164 0.00 0.00 +0.265 C ATOM 5 O LIG 1 5.214 -1.679 -0.354 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 5.537 -0.721 0.575 0.00 0.00 +0.129 A ATOM 7 C LIG 1 5.043 0.580 0.425 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.199 0.863 -0.756 0.00 0.00 -0.000 C ATOM 9 C LIG 1 4.718 1.628 -1.754 0.00 0.00 +0.004 C ATOM 10 C LIG 1 6.048 2.336 -1.751 0.00 0.00 +0.048 C ATOM 11 C LIG 1 5.356 1.546 1.386 0.00 0.00 +0.012 A ATOM 12 C LIG 1 6.189 1.215 2.458 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.711 -0.077 2.572 0.00 0.00 +0.004 A ATOM 14 C LIG 1 6.389 -1.050 1.625 0.00 0.00 +0.046 A ATOM 15 C LIG 1 2.879 0.179 -0.875 0.00 0.00 -0.010 A ATOM 16 C LIG 1 1.735 0.938 -1.178 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.485 0.337 -1.330 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 4.007 1.808 -3.041 0.00 0.00 +0.179 A ATOM 19 N LIG 1 3.710 0.734 -3.771 0.00 0.00 -0.272 N ATOM 20 H LIG 1 3.852 -0.234 -3.545 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 3.051 1.175 -4.851 0.00 0.00 +0.440 A ATOM 22 O LIG 1 2.559 0.478 -5.724 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 3.007 2.546 -4.803 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 3.656 2.922 -3.583 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 -1.003 -1.722 -1.333 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 -2.359 -1.176 0.740 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -2.087 -1.069 -0.610 0.00 0.00 -0.323 N ATOM 28 C LIG 1 -3.061 -0.275 -1.182 0.00 0.00 +0.070 A ATOM 29 C LIG 1 -3.887 0.087 -0.120 0.00 0.00 +0.101 A ATOM 30 C LIG 1 -5.000 0.918 -0.357 0.00 0.00 +0.064 A ATOM 31 C LIG 1 -5.241 1.357 -1.671 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -4.399 0.983 -2.718 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -3.291 0.160 -2.496 0.00 0.00 +0.028 A ATOM 34 N LIG 1 -3.433 -0.479 1.054 0.00 0.00 -0.232 NA BRANCH 30 35 ATOM 35 C LIG 1 -5.918 1.335 0.733 0.00 0.00 +0.246 C ATOM 36 N LIG 1 -5.602 0.926 2.007 0.00 0.00 -0.309 N ATOM 37 H LIG 1 -4.793 0.311 2.112 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 -6.902 2.026 0.486 0.00 0.00 -0.270 OA BRANCH 36 39 ATOM 39 C LIG 1 -6.457 1.147 3.162 0.00 0.00 +0.132 C BRANCH 39 40 ATOM 40 C LIG 1 -6.602 2.624 3.541 0.00 0.00 +0.174 C BRANCH 40 41 ATOM 41 O LIG 1 -7.587 3.282 2.750 0.00 0.00 -0.393 OA ATOM 42 H LIG 1 -7.444 2.987 1.822 0.00 0.00 +0.209 HD ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 30 35 BRANCH 26 43 ATOM 43 C LIG 1 -1.552 -1.965 1.723 0.00 0.00 +0.074 C BRANCH 43 45 ATOM 44 C LIG 1 -2.536 -4.264 1.235 0.00 0.00 +0.004 C ATOM 45 C LIG 1 -2.321 -3.169 2.272 0.00 0.00 +0.004 C ENDBRANCH 43 45 ENDBRANCH 26 43 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9