REMARK Name = BDB016084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.952 2.269 -0.624 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.028 1.389 -0.335 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.248 1.862 -0.015 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.512 3.235 -0.018 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.439 4.050 -0.333 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.794 3.603 -0.634 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.834 -0.186 -1.114 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.570 0.351 -0.823 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.291 1.728 -0.938 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.345 2.560 -1.359 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.610 2.043 -1.652 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.853 0.676 -1.530 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.954 -4.595 -0.259 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.011 -3.555 -0.591 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.746 -3.885 -0.910 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.171 -2.705 -1.157 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.057 -1.615 -0.984 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.246 -2.210 -0.615 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.796 3.833 0.292 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -4.005 3.449 -0.249 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.945 4.282 0.281 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -6.364 4.266 0.025 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.432 5.202 1.118 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.125 4.928 1.123 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.278 0.953 0.300 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.684 1.278 1.182 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.994 -0.498 0.440 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -1.086 -0.765 1.667 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -0.977 -2.236 2.103 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -0.632 -3.247 1.008 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -1.771 -3.527 0.028 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -1.903 -2.545 -1.131 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -1.479 -1.103 -0.873 0.00 0.00 +0.025 C BRANCH 28 34 ATOM 34 O LIG 1 -1.625 -0.032 2.798 0.00 0.00 -0.387 OA ATOM 35 H LIG 1 -2.285 -0.642 3.189 0.00 0.00 +0.210 HD ENDBRANCH 28 34 BRANCH 29 36 ATOM 36 O LIG 1 -2.209 -2.602 2.752 0.00 0.00 -0.389 OA ATOM 37 H LIG 1 -2.091 -3.506 3.097 0.00 0.00 +0.210 HD ENDBRANCH 29 36 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7