REMARK Name = BDB021427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.474 -0.156 0.088 0.00 0.00 -0.019 A ATOM 2 C LIG 1 2.890 -1.427 0.050 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.690 -1.733 0.728 0.00 0.00 +0.133 A ATOM 4 O LIG 1 1.353 -3.041 0.531 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.468 -3.632 1.464 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.922 -3.068 1.285 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.129 -1.914 2.147 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.282 -0.811 2.193 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.615 0.177 2.858 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.024 -0.735 1.448 0.00 0.00 +0.078 A ATOM 11 C LIG 1 1.629 0.545 1.482 0.00 0.00 +0.017 A ATOM 12 C LIG 1 2.829 0.832 0.822 0.00 0.00 +0.009 A ENDROOT BRANCH 1 16 ATOM 13 N LIG 1 7.329 0.278 -1.821 0.00 0.00 -0.299 NA ATOM 14 C LIG 1 7.003 1.257 -0.772 0.00 0.00 +0.089 C ATOM 15 C LIG 1 5.880 0.739 0.148 0.00 0.00 +0.051 C ATOM 16 C LIG 1 4.739 0.113 -0.616 0.00 0.00 -0.042 C ATOM 17 C LIG 1 4.879 -0.172 -1.924 0.00 0.00 -0.008 C ATOM 18 C LIG 1 6.155 0.058 -2.684 0.00 0.00 +0.112 C BRANCH 13 20 ATOM 19 C LIG 1 9.800 0.613 -1.878 0.00 0.00 +0.020 C ATOM 20 C LIG 1 8.480 0.687 -2.638 0.00 0.00 +0.081 C ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 7 21 ATOM 21 C LIG 1 -2.442 -1.814 2.803 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 -3.602 -1.393 1.879 0.00 0.00 +0.146 C BRANCH 22 23 ATOM 23 O LIG 1 -3.862 -2.416 0.903 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -4.357 -1.953 0.194 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -3.372 -0.051 1.152 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -4.471 0.247 0.196 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -5.706 0.644 0.907 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -6.802 1.155 -0.005 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.506 1.632 -1.294 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.533 2.132 -2.105 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.844 2.183 -1.631 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -9.139 1.727 -0.349 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.098 1.545 -1.821 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -8.123 1.218 0.462 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -4.064 1.343 -0.705 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 7