REMARK Name = BDB004067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.974 -1.556 2.333 0.00 0.00 -0.299 N ATOM 2 H LIG 1 0.219 -1.918 2.905 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.799 -0.150 2.197 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.429 0.336 1.704 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.547 1.730 1.640 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.737 2.278 1.177 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -2.818 1.488 0.773 0.00 0.00 +0.123 A ATOM 8 C LIG 1 -2.701 0.105 0.814 0.00 0.00 +0.046 A ATOM 9 N LIG 1 0.438 2.555 2.009 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 1.565 1.986 2.448 0.00 0.00 +0.223 A ATOM 11 C LIG 1 -1.515 -0.469 1.274 0.00 0.00 +0.017 A ATOM 12 N LIG 1 1.793 0.677 2.566 0.00 0.00 -0.220 NA BRANCH 7 13 ATOM 13 O LIG 1 -3.914 2.189 0.351 0.00 0.00 -0.492 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.111 1.442 0.113 0.00 0.00 +0.230 C BRANCH 14 15 ATOM 15 C LIG 1 -6.217 2.439 -0.222 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -7.595 1.781 -0.349 0.00 0.00 +0.087 C BRANCH 16 17 ATOM 17 N LIG 1 -7.664 0.724 -1.368 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 -8.932 -0.006 -1.293 0.00 0.00 +0.084 C ATOM 19 C LIG 1 -8.874 -1.268 -2.161 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -8.125 -1.061 -3.479 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -8.069 0.414 -3.845 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -7.418 1.242 -2.727 0.00 0.00 +0.084 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 27 ATOM 23 C LIG 1 5.726 -4.686 3.128 0.00 0.00 +0.045 C ATOM 24 C LIG 1 4.515 -3.816 2.910 0.00 0.00 -0.029 A ATOM 25 C LIG 1 4.603 -2.573 2.243 0.00 0.00 +0.038 A ATOM 26 C LIG 1 3.416 -1.841 2.054 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.177 -2.268 2.555 0.00 0.00 +0.034 A ATOM 28 C LIG 1 2.119 -3.511 3.191 0.00 0.00 +0.023 A ATOM 29 C LIG 1 3.272 -4.272 3.377 0.00 0.00 +0.007 A BRANCH 25 30 ATOM 30 N LIG 1 5.840 -2.152 1.727 0.00 0.00 -0.283 N ATOM 31 H LIG 1 6.665 -2.561 2.138 0.00 0.00 +0.155 HD BRANCH 30 32 ATOM 32 C LIG 1 6.241 -1.106 0.902 0.00 0.00 +0.219 A ATOM 33 N LIG 1 5.370 -0.364 0.207 0.00 0.00 -0.222 NA ATOM 34 C LIG 1 5.865 0.611 -0.584 0.00 0.00 +0.124 A ATOM 35 C LIG 1 7.208 0.897 -0.727 0.00 0.00 +0.020 A ATOM 36 C LIG 1 8.017 0.070 0.028 0.00 0.00 +0.124 A ATOM 37 N LIG 1 7.570 -0.922 0.830 0.00 0.00 -0.222 NA BRANCH 35 38 ATOM 38 C LIG 1 7.724 1.963 -1.589 0.00 0.00 +0.003 A ATOM 39 C LIG 1 7.156 3.239 -1.609 0.00 0.00 +0.119 A ATOM 40 N LIG 1 7.584 4.267 -2.382 0.00 0.00 -0.263 NA ATOM 41 C LIG 1 8.638 4.023 -3.187 0.00 0.00 +0.111 A ATOM 42 C LIG 1 9.282 2.800 -3.252 0.00 0.00 +0.020 A ATOM 43 C LIG 1 8.817 1.763 -2.443 0.00 0.00 +0.011 A ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 25 30 ENDBRANCH 1 27 TORSDOF 10