REMARK Name = BDB034388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.882 1.865 -0.124 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.144 1.940 -1.315 0.00 0.00 +0.032 A ATOM 3 C LIG 1 1.756 2.004 -1.330 0.00 0.00 +0.073 A ATOM 4 C LIG 1 1.049 1.981 -0.106 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.375 2.024 -0.155 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.981 2.174 -1.404 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.191 2.191 -2.538 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.798 1.923 1.095 0.00 0.00 +0.012 A ATOM 9 N LIG 1 1.151 2.092 -2.523 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.192 1.862 1.086 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -1.122 2.020 1.044 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.714 1.361 1.705 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.580 1.913 0.991 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -3.140 1.843 2.412 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -4.670 1.919 2.474 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -5.349 0.799 1.825 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -4.713 0.013 1.698 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.914 1.168 0.525 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -6.387 -0.054 -0.222 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -5.647 -0.618 -1.265 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -6.084 -1.766 -1.947 0.00 0.00 +0.162 A ATOM 22 C LIG 1 -7.286 -2.362 -1.571 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -8.034 -1.818 -0.523 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -7.588 -0.678 0.148 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 -4.456 -0.045 -1.638 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 -4.126 -0.613 -2.363 0.00 0.00 +0.292 HD ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O LIG 1 -5.246 -2.194 -2.947 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -5.649 -3.360 -3.656 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 29 ATOM 29 C LIG 1 5.390 1.788 -0.158 0.00 0.00 +0.070 C BRANCH 29 34 ATOM 30 C LIG 1 6.224 -1.938 -0.144 0.00 0.00 +0.124 A ATOM 31 C LIG 1 6.956 -2.046 1.043 0.00 0.00 +0.091 A ATOM 32 C LIG 1 7.184 -0.927 1.843 0.00 0.00 +0.124 A ATOM 33 C LIG 1 6.673 0.311 1.447 0.00 0.00 +0.049 A ATOM 34 C LIG 1 5.939 0.442 0.260 0.00 0.00 -0.036 A ATOM 35 C LIG 1 5.721 -0.695 -0.534 0.00 0.00 +0.049 A BRANCH 30 37 ATOM 36 C LIG 1 5.278 -3.074 -2.008 0.00 0.00 +0.277 C ATOM 37 O LIG 1 6.073 -3.114 -0.829 0.00 0.00 -0.495 OA ENDBRANCH 30 37 BRANCH 32 38 ATOM 38 O LIG 1 7.879 -0.906 3.021 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 8.425 -2.142 3.465 0.00 0.00 +0.277 C ENDBRANCH 32 38 ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 13