REMARK Name = BDB038666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.046 -0.538 0.012 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -0.012 -1.647 -0.746 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -1.155 -2.367 -0.854 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -2.301 -1.950 -0.184 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.292 -0.779 0.579 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.083 -0.081 0.684 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.579 1.877 -0.018 0.00 0.00 -0.033 A ATOM 8 C LIG 1 4.796 0.840 -0.547 0.00 0.00 +0.018 A ATOM 9 C LIG 1 3.469 0.768 -0.163 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.441 -0.201 -0.569 0.00 0.00 +0.253 C ATOM 11 N LIG 1 1.270 0.158 0.103 0.00 0.00 -0.248 N ATOM 12 C LIG 1 1.465 1.326 0.941 0.00 0.00 +0.151 C ATOM 13 O LIG 1 2.682 -1.093 -1.360 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.898 1.672 0.726 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.654 2.696 1.267 0.00 0.00 +0.006 A ATOM 16 C LIG 1 5.000 2.793 0.892 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 7.039 1.987 -0.393 0.00 0.00 +0.116 C BRANCH 17 19 ATOM 18 C LIG 1 9.252 1.159 0.053 0.00 0.00 +0.101 C ATOM 19 N LIG 1 7.840 1.045 0.384 0.00 0.00 -0.315 NA ATOM 20 H LIG 1 7.704 1.228 1.376 0.00 0.00 +0.122 HD ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -3.517 -0.283 1.242 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -4.732 -0.045 0.551 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -5.869 0.386 1.260 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -5.816 0.611 2.638 0.00 0.00 +0.052 A ATOM 25 C LIG 1 -4.621 0.394 3.323 0.00 0.00 +0.019 A ATOM 26 C LIG 1 -3.490 -0.052 2.633 0.00 0.00 +0.010 A BRANCH 22 27 ATOM 27 C LIG 1 -4.894 -0.272 -0.886 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -4.249 0.380 -1.909 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -3.317 1.472 -1.835 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -4.694 -0.186 -3.065 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -5.584 -1.108 -2.788 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -5.721 -1.152 -1.422 0.00 0.00 -0.129 NA ENDBRANCH 22 27 BRANCH 24 33 ATOM 33 C LIG 1 -6.980 1.061 3.343 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -7.912 1.440 3.921 0.00 0.00 -0.191 NA ENDBRANCH 24 33 ENDBRANCH 5 21 BRANCH 3 35 ATOM 35 C LIG 1 -1.103 -3.597 -1.736 0.00 0.00 +0.038 C ATOM 36 C LIG 1 -2.270 -3.992 -2.611 0.00 0.00 +0.010 C ATOM 37 C LIG 1 -1.900 -4.842 -1.429 0.00 0.00 +0.010 C ENDBRANCH 3 35 TORSDOF 7