REMARK Name = BDB007796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.420 -1.577 -1.253 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -1.101 -1.101 -0.150 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.571 -0.868 0.679 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.962 -2.192 -2.164 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.018 -0.091 -0.695 0.00 0.00 +0.125 A ATOM 6 N LIG 1 3.791 -0.967 -1.372 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 3.198 -1.990 -2.024 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.839 -2.216 -2.016 0.00 0.00 +0.033 A ATOM 9 C LIG 1 1.046 -1.340 -1.284 0.00 0.00 +0.041 A ATOM 10 C LIG 1 1.637 -0.259 -0.624 0.00 0.00 +0.057 A BRANCH 5 11 ATOM 11 N LIG 1 3.584 0.989 0.011 0.00 0.00 -0.283 N ATOM 12 H LIG 1 3.017 1.824 -0.058 0.00 0.00 +0.155 HD BRANCH 11 17 ATOM 13 C LIG 1 7.075 1.082 0.631 0.00 0.00 +0.043 A ATOM 14 N LIG 1 6.607 2.360 0.796 0.00 0.00 -0.279 N ATOM 15 H LIG 1 7.136 3.188 1.046 0.00 0.00 +0.189 HD ATOM 16 N LIG 1 5.287 2.492 0.601 0.00 0.00 -0.158 NA ATOM 17 C LIG 1 4.879 1.264 0.273 0.00 0.00 +0.146 A ATOM 18 C LIG 1 5.954 0.349 0.293 0.00 0.00 +0.068 A BRANCH 13 20 ATOM 19 C LIG 1 9.401 1.504 -0.181 0.00 0.00 +0.017 C ATOM 20 C LIG 1 8.530 0.713 0.813 0.00 0.00 +0.004 C ATOM 21 C LIG 1 8.754 -0.791 0.562 0.00 0.00 +0.017 C ATOM 22 C LIG 1 8.977 1.034 2.252 0.00 0.00 +0.017 C ENDBRANCH 13 20 ENDBRANCH 11 17 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 -2.510 -1.435 0.056 0.00 0.00 +0.137 C BRANCH 23 24 ATOM 24 C LIG 1 -3.442 -0.654 -0.886 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 -3.273 0.754 -0.672 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.322 0.917 -0.798 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.925 -1.073 -0.735 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.422 -1.179 0.655 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.683 0.139 1.271 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.956 0.824 0.816 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -8.020 0.086 0.268 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -9.202 0.739 -0.106 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.336 2.114 0.083 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.291 2.847 0.640 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.864 -1.393 0.017 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.107 2.205 1.008 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.649 -1.991 0.741 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 9