REMARK Name = BDB002300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.296 -0.571 2.083 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.131 -1.179 2.497 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.029 -1.653 1.661 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.827 -2.471 2.630 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.652 -1.724 3.949 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.800 -1.268 3.909 0.00 0.00 +0.109 C ATOM 7 O LIG 1 3.076 -0.065 2.898 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.784 -0.475 1.071 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.710 -0.861 0.127 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -1.723 -1.812 -0.214 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -0.620 0.691 1.419 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.470 0.117 -0.639 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -2.685 -0.445 -2.042 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -1.724 -0.190 -3.036 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.866 -0.720 -4.320 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.966 -1.518 -4.627 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.919 -1.796 -3.650 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.777 -1.271 -2.363 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.760 0.559 0.053 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -4.436 1.696 -0.429 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -5.628 2.126 0.158 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.162 1.429 1.239 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.507 0.303 1.732 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.318 -0.132 1.143 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.598 -0.492 0.564 0.00 0.00 +0.164 C BRANCH 25 27 ATOM 26 C LIG 1 2.002 1.608 -0.610 0.00 0.00 +0.230 C ATOM 27 N LIG 1 2.798 0.930 0.290 0.00 0.00 -0.302 N ATOM 28 H LIG 1 3.249 1.459 1.031 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 1.247 1.040 -1.399 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 2.147 3.144 -0.544 0.00 0.00 +0.137 C ATOM 31 C LIG 1 1.256 3.673 0.576 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 2.736 3.554 -2.865 0.00 0.00 +0.101 C ATOM 33 N LIG 1 1.742 3.770 -1.821 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 0.867 3.323 -2.109 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 3.811 -1.367 0.122 0.00 0.00 -0.011 C ATOM 36 C LIG 1 5.138 -0.937 0.775 0.00 0.00 +0.013 C ATOM 37 C LIG 1 3.977 -1.269 -1.410 0.00 0.00 +0.013 C ATOM 38 C LIG 1 3.547 -2.845 0.474 0.00 0.00 +0.013 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 9