REMARK Name = BDB032495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.628 0.027 -2.019 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.876 0.460 -2.477 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.783 -0.458 -3.029 0.00 0.00 -0.030 A ATOM 4 C LIG 1 -2.395 -1.802 -3.150 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.135 -2.226 -2.721 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.249 -1.312 -2.154 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 N LIG 1 0.924 0.681 -0.209 0.00 0.00 -0.297 N ATOM 8 C LIG 1 0.302 1.015 -1.422 0.00 0.00 +0.247 C ATOM 9 O LIG 1 0.503 2.060 -2.036 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 2.008 1.561 0.246 0.00 0.00 +0.111 C BRANCH 10 14 ATOM 11 N LIG 1 5.625 0.908 1.066 0.00 0.00 -0.300 NA ATOM 12 C LIG 1 5.014 2.238 1.045 0.00 0.00 +0.085 C ATOM 13 C LIG 1 4.284 2.581 -0.253 0.00 0.00 +0.020 C ATOM 14 C LIG 1 3.263 1.507 -0.656 0.00 0.00 +0.009 C ATOM 15 C LIG 1 3.941 0.130 -0.649 0.00 0.00 +0.020 C ATOM 16 C LIG 1 4.716 -0.154 0.642 0.00 0.00 +0.085 C BRANCH 11 18 ATOM 17 C LIG 1 7.231 0.613 -0.898 0.00 0.00 +0.024 C ATOM 18 C LIG 1 7.017 0.847 0.599 0.00 0.00 +0.050 C ATOM 19 C LIG 1 7.770 -0.227 1.399 0.00 0.00 +0.024 C ENDBRANCH 11 18 ENDBRANCH 10 14 ENDBRANCH 7 10 BRANCH 7 20 ATOM 20 C LIG 1 0.140 0.017 0.847 0.00 0.00 +0.110 C BRANCH 20 21 ATOM 21 C LIG 1 0.843 -1.211 1.427 0.00 0.00 +0.047 C BRANCH 21 22 ATOM 22 C LIG 1 -0.058 -1.953 2.406 0.00 0.00 +0.157 C BRANCH 22 23 ATOM 23 O LIG 1 -0.390 -1.098 3.491 0.00 0.00 -0.395 OA ATOM 24 H LIG 1 -1.002 -1.588 4.069 0.00 0.00 +0.209 HD ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 7 20 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 C LIG 1 -4.156 -0.009 -3.479 0.00 0.00 +0.137 C BRANCH 25 26 ATOM 26 N LIG 1 -4.953 0.500 -2.362 0.00 0.00 -0.339 N ATOM 27 H LIG 1 -4.507 1.322 -1.969 0.00 0.00 +0.146 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.423 -0.352 -1.340 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -5.810 0.190 -0.069 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -6.287 -0.675 0.950 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -6.634 -0.112 2.200 0.00 0.00 +0.124 A ATOM 32 N LIG 1 -6.535 1.197 2.490 0.00 0.00 -0.240 NA ATOM 33 C LIG 1 -6.102 2.006 1.508 0.00 0.00 +0.113 A ATOM 34 C LIG 1 -6.404 -2.054 0.681 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -6.104 -2.568 -0.574 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -5.743 1.563 0.245 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -5.641 -1.720 -1.576 0.00 0.00 +0.023 A BRANCH 31 38 ATOM 38 N LIG 1 -7.118 -0.895 3.256 0.00 0.00 -0.343 N ATOM 39 H LIG 1 -7.323 -0.244 4.011 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -7.951 -1.395 2.967 0.00 0.00 +0.144 HD ENDBRANCH 31 38 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 12