REMARK Name = BDB003486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.369 1.169 -0.697 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.398 0.801 0.391 0.00 0.00 -0.282 N ATOM 3 H LIG 1 0.085 0.641 1.264 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.013 1.355 -1.844 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.792 0.584 0.418 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -2.349 0.156 1.631 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.723 -0.087 1.745 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -4.559 0.095 0.639 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -4.011 0.542 -0.567 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.636 0.779 -0.677 0.00 0.00 +0.024 A BRANCH 8 11 ATOM 11 C LIG 1 -6.025 -0.149 0.708 0.00 0.00 +0.244 C ATOM 12 N LIG 1 -6.440 -1.121 1.595 0.00 0.00 -0.310 N ATOM 13 H LIG 1 -5.756 -1.747 1.998 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 -6.791 0.470 -0.021 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 -7.837 -1.514 1.678 0.00 0.00 +0.120 C BRANCH 15 16 ATOM 16 C LIG 1 -8.271 -2.400 0.492 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 N LIG 1 -9.582 -3.065 0.673 0.00 0.00 -0.301 NA BRANCH 17 18 ATOM 18 C LIG 1 -10.674 -2.070 0.695 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -12.044 -2.660 1.017 0.00 0.00 +0.020 C ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C LIG 1 -9.779 -4.075 -0.386 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -10.222 -5.399 0.224 0.00 0.00 +0.020 C ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 23 ATOM 22 C LIG 1 2.724 1.491 -1.296 0.00 0.00 +0.013 C ATOM 23 C LIG 1 1.806 1.323 -0.332 0.00 0.00 +0.068 C BRANCH 22 28 ATOM 24 C LIG 1 6.446 1.047 -1.543 0.00 0.00 +0.162 A ATOM 25 C LIG 1 6.930 1.915 -0.553 0.00 0.00 +0.162 A ATOM 26 C LIG 1 6.011 2.671 0.177 0.00 0.00 +0.050 A ATOM 27 C LIG 1 4.636 2.540 -0.060 0.00 0.00 +0.012 A ATOM 28 C LIG 1 4.157 1.641 -1.020 0.00 0.00 -0.021 A ATOM 29 C LIG 1 5.074 0.898 -1.766 0.00 0.00 +0.057 A BRANCH 24 30 ATOM 30 O LIG 1 7.287 0.248 -2.279 0.00 0.00 -0.489 OA BRANCH 30 32 ATOM 31 C LIG 1 8.717 0.040 -4.176 0.00 0.00 +0.048 C ATOM 32 C LIG 1 7.895 1.000 -3.335 0.00 0.00 +0.226 C ENDBRANCH 30 32 ENDBRANCH 24 30 BRANCH 25 33 ATOM 33 O LIG 1 8.288 1.954 -0.388 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 8.802 2.698 0.716 0.00 0.00 +0.232 C BRANCH 34 35 ATOM 35 C LIG 1 10.327 2.521 0.763 0.00 0.00 +0.020 C ATOM 36 C LIG 1 10.932 3.398 1.858 0.00 0.00 +0.010 C ATOM 37 C LIG 1 10.713 1.056 0.981 0.00 0.00 +0.010 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 22 28 ENDBRANCH 1 23 TORSDOF 14