REMARK Name = BDB038570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.013 0.063 0.741 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -1.653 0.180 0.440 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.938 -0.938 0.038 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.529 -2.151 -0.079 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.849 -2.295 0.198 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.600 -1.200 0.623 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.433 -0.877 -0.269 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.286 0.212 -0.154 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.087 1.343 0.251 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.605 -0.239 -0.617 0.00 0.00 +0.042 A ATOM 11 C LIG 1 2.509 -1.578 -0.981 0.00 0.00 -0.018 A ATOM 12 C LIG 1 3.619 -2.256 -1.450 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.827 -1.555 -1.547 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.921 -0.190 -1.183 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.785 0.477 -0.702 0.00 0.00 +0.018 A ATOM 16 C LIG 1 1.112 -2.060 -0.771 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.245 0.532 -1.290 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 7.157 0.092 -0.234 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 6.692 0.198 0.667 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 8.432 0.798 -0.356 0.00 0.00 +0.054 C ATOM 21 C LIG 1 9.375 0.314 0.773 0.00 0.00 +0.019 C ATOM 22 C LIG 1 9.763 1.797 0.966 0.00 0.00 +0.003 C ATOM 23 C LIG 1 8.378 2.156 0.384 0.00 0.00 +0.019 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -4.902 1.747 0.464 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -3.791 1.239 1.179 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -3.409 1.893 2.369 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -4.096 3.015 2.839 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -5.180 3.517 2.123 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.578 2.887 0.940 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 -7.642 0.367 -0.059 0.00 0.00 +0.152 C ATOM 31 N LIG 1 -6.578 0.558 -1.008 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -5.355 1.147 -0.792 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.662 1.065 -1.913 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 -5.434 0.434 -2.860 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 -6.581 0.136 -2.301 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 -5.887 4.671 2.595 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.477 5.593 2.979 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 -3.432 -3.683 0.011 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -4.702 -3.875 -0.785 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -4.695 -4.154 0.691 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 8