REMARK Name = BDB036258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.671 2.841 0.307 0.00 0.00 +0.061 A ATOM 2 C LIG 1 1.073 1.473 0.312 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.133 0.545 -0.091 0.00 0.00 -0.271 N ATOM 4 C LIG 1 0.719 -0.692 0.014 0.00 0.00 +0.120 A ATOM 5 C LIG 1 2.008 -0.459 0.449 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -1.168 0.897 -0.506 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.524 2.153 -0.497 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 2.212 0.888 0.638 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 -0.593 3.089 -0.098 0.00 0.00 +0.128 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 3.255 7.185 0.628 0.00 0.00 +0.067 C ATOM 11 C LIG 1 2.651 5.849 0.843 0.00 0.00 +0.061 A ATOM 12 N LIG 1 2.956 5.140 1.932 0.00 0.00 -0.176 NA ATOM 13 N LIG 1 2.252 3.993 1.798 0.00 0.00 -0.266 N ATOM 14 C LIG 1 2.334 3.030 2.873 0.00 0.00 +0.173 C ATOM 15 C LIG 1 1.494 3.955 0.648 0.00 0.00 +0.074 A ATOM 16 C LIG 1 1.739 5.161 0.017 0.00 0.00 +0.052 A ENDBRANCH 1 15 BRANCH 6 17 ATOM 17 N LIG 1 -2.029 -0.105 -0.903 0.00 0.00 -0.310 N ATOM 18 H LIG 1 -1.604 -0.970 -1.220 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 -3.268 0.203 -1.595 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 -4.121 -1.030 -1.669 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -4.723 -1.585 -0.542 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -4.639 -1.180 0.882 0.00 0.00 +0.080 C ATOM 23 C LIG 1 -5.767 -2.041 1.449 0.00 0.00 +0.234 C ATOM 24 O LIG 1 -5.993 -3.166 0.568 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 -5.487 -2.741 -0.634 0.00 0.00 +0.124 A ATOM 26 C LIG 1 -5.688 -3.398 -1.830 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -5.103 -2.857 -2.974 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.333 -1.689 -2.886 0.00 0.00 +0.129 A ATOM 29 F LIG 1 -3.777 -1.206 -4.007 0.00 0.00 -0.205 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 5 30 ATOM 30 C LIG 1 3.103 -1.448 0.680 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 3.594 -1.878 -0.631 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 3.923 -1.041 -1.120 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 4.668 -2.864 -0.565 0.00 0.00 +0.106 C BRANCH 33 34 ATOM 34 C LIG 1 4.263 -4.243 -0.065 0.00 0.00 +0.218 C BRANCH 34 35 ATOM 35 S LIG 1 3.161 -5.087 -1.176 0.00 0.00 +0.119 S ATOM 36 F LIG 1 3.124 -6.587 -0.634 0.00 0.00 -0.061 F ATOM 37 O LIG 1 1.806 -4.604 -0.994 0.00 0.00 -0.143 OA ATOM 38 O LIG 1 3.781 -5.189 -2.482 0.00 0.00 -0.143 OA ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9