REMARK Name = BDB007896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.866 -2.772 -0.759 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -4.550 -3.213 -0.555 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -3.532 -2.262 -0.395 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -2.193 -2.453 -0.180 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -1.662 -1.250 -0.095 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -2.629 -0.279 -0.253 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -3.840 -0.907 -0.445 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -5.143 -0.437 -0.650 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -6.149 -1.399 -0.806 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -7.979 -3.163 -3.259 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -7.866 -3.913 -1.987 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -6.936 -3.732 -0.929 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -7.282 -4.700 -0.012 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -6.780 -5.103 1.316 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -8.339 -5.411 -0.490 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -8.712 -4.918 -1.725 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -2.427 1.160 -0.228 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 -2.630 1.737 1.180 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 -2.332 3.178 1.263 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 -2.343 3.658 2.665 0.00 0.00 +0.112 C ATOM 21 C LIG 1 -3.659 4.340 3.070 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -3.978 5.481 2.261 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -3.393 5.427 0.954 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -3.256 3.988 0.434 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 -0.211 -0.976 0.141 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 0.562 -0.930 -1.178 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 2.019 -0.610 -0.954 0.00 0.00 -0.047 A ATOM 28 C LIG 1 2.462 0.717 -0.932 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.809 1.006 -0.702 0.00 0.00 +0.046 A ATOM 30 C LIG 1 4.732 -0.020 -0.488 0.00 0.00 +0.121 A ATOM 31 C LIG 1 4.295 -1.344 -0.502 0.00 0.00 +0.046 A ATOM 32 C LIG 1 2.946 -1.636 -0.732 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 O LIG 1 6.015 0.403 -0.275 0.00 0.00 -0.492 OA BRANCH 33 34 ATOM 34 C LIG 1 7.014 -0.604 -0.117 0.00 0.00 +0.230 C BRANCH 34 35 ATOM 35 C LIG 1 8.373 0.072 0.070 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 8.788 0.863 -1.181 0.00 0.00 +0.087 C BRANCH 36 37 ATOM 37 N LIG 1 10.102 1.522 -1.137 0.00 0.00 -0.308 NA ATOM 38 C LIG 1 11.211 0.582 -1.015 0.00 0.00 +0.104 C ATOM 39 C LIG 1 10.178 2.562 -0.115 0.00 0.00 +0.104 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 12