REMARK Name = BDB031768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.050 -1.158 2.227 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.910 -1.934 1.060 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.688 -1.910 0.379 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.593 -1.172 0.805 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.431 -1.427 -0.162 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.005 -2.261 -1.112 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.716 -0.412 1.983 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.272 -2.529 -0.764 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.808 -3.152 -1.356 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.939 -0.422 2.674 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.455 1.161 -1.043 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.003 0.778 0.229 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.800 -0.036 1.021 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.639 -0.618 2.397 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.353 -1.155 2.992 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.934 -1.361 2.632 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.699 -1.219 1.488 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.619 -1.620 1.396 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.225 -1.969 3.649 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.957 0.140 3.498 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.050 -0.438 0.530 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.529 -0.080 -0.712 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.712 0.731 -1.507 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.963 2.359 -3.041 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.581 1.957 -1.733 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.660 -0.865 -0.059 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -1.838 -0.240 0.723 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.808 -0.920 -0.886 0.00 0.00 +0.080 A ATOM 29 C LIG 1 -3.976 -0.253 -0.462 0.00 0.00 +0.181 A ATOM 30 C LIG 1 -5.133 -0.250 -1.271 0.00 0.00 +0.165 A ATOM 31 N LIG 1 -5.166 -0.961 -2.421 0.00 0.00 -0.237 NA ATOM 32 C LIG 1 -4.049 -1.623 -2.795 0.00 0.00 +0.115 A ATOM 33 C LIG 1 -2.865 -1.625 -2.081 0.00 0.00 +0.047 A BRANCH 30 34 ATOM 34 N LIG 1 -6.277 0.497 -0.902 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -6.019 1.952 -1.011 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -7.265 2.725 -0.543 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -8.435 2.355 -1.290 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -8.681 0.943 -1.163 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -7.486 0.118 -1.667 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 29 40 ATOM 40 O LIG 1 -3.894 0.393 0.758 0.00 0.00 -0.490 OA ATOM 41 C LIG 1 -4.834 -0.146 1.691 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6