REMARK Name = BDB034428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.159 1.815 0.118 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -2.796 1.234 -1.098 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -1.705 0.382 -1.199 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.936 0.094 -0.044 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.165 -0.803 -0.178 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.467 -1.279 -1.454 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.346 -0.927 -2.515 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -1.296 0.725 1.173 0.00 0.00 +0.015 A ATOM 9 N LIG 1 -1.421 -0.126 -2.406 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -2.394 1.580 1.251 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 0.969 -1.098 0.944 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.382 -1.237 1.764 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 2.035 -2.094 0.855 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 2.784 -2.184 2.187 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 3.593 -0.930 2.544 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 5.013 -0.992 2.178 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 5.489 -0.213 2.636 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 5.244 -0.849 0.737 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 6.708 -0.679 0.424 0.00 0.00 +0.012 A ATOM 20 C LIG 1 7.166 0.334 -0.404 0.00 0.00 +0.171 A ATOM 21 O LIG 1 6.402 1.289 -1.003 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 7.404 2.044 -1.713 0.00 0.00 +0.466 C ATOM 23 O LIG 1 8.738 1.528 -1.542 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 8.501 0.473 -0.716 0.00 0.00 +0.167 A ATOM 25 C LIG 1 9.461 -0.389 -0.229 0.00 0.00 +0.049 A ATOM 26 C LIG 1 9.037 -1.428 0.600 0.00 0.00 +0.004 A ATOM 27 C LIG 1 7.674 -1.574 0.919 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 O LIG 1 -4.210 2.694 0.253 0.00 0.00 -0.456 OA BRANCH 28 31 ATOM 29 C LIG 1 -7.224 0.857 -0.935 0.00 0.00 +0.033 A ATOM 30 C LIG 1 -6.006 1.140 -0.292 0.00 0.00 +0.069 A ATOM 31 C LIG 1 -5.382 2.393 -0.403 0.00 0.00 +0.130 A ATOM 32 C LIG 1 -5.976 3.414 -1.133 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -7.172 3.166 -1.792 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.776 1.905 -1.698 0.00 0.00 +0.023 A BRANCH 29 36 ATOM 35 C LIG 1 -9.279 -0.486 -1.093 0.00 0.00 +0.129 C ATOM 36 N LIG 1 -7.838 -0.401 -0.863 0.00 0.00 -0.336 N ATOM 37 C LIG 1 -7.278 -1.423 0.019 0.00 0.00 +0.129 C ENDBRANCH 29 36 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 10