REMARK Name = BDB003173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.262 -0.659 1.464 0.00 0.00 -0.200 N ATOM 2 H LIG 1 0.019 -1.029 2.364 0.00 0.00 +0.178 HD ATOM 3 C LIG 1 0.652 -0.758 0.411 0.00 0.00 +0.299 C ATOM 4 O LIG 1 0.345 -0.669 -0.776 0.00 0.00 -0.265 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 2.023 -0.994 0.846 0.00 0.00 +0.191 A ATOM 6 O LIG 1 2.965 -1.236 -0.121 0.00 0.00 -0.453 OA ATOM 7 C LIG 1 4.164 -1.422 0.496 0.00 0.00 +0.127 A ATOM 8 C LIG 1 4.012 -1.305 1.861 0.00 0.00 +0.047 A ATOM 9 C LIG 1 2.641 -1.026 2.086 0.00 0.00 +0.055 A BRANCH 7 10 ATOM 10 C LIG 1 5.324 -1.698 -0.384 0.00 0.00 +0.217 C BRANCH 10 11 ATOM 11 N LIG 1 6.208 -0.540 -0.436 0.00 0.00 -0.262 N ATOM 12 N LIG 1 7.310 -0.491 0.349 0.00 0.00 -0.177 NA ATOM 13 C LIG 1 7.872 0.682 0.034 0.00 0.00 +0.167 A ATOM 14 C LIG 1 7.145 1.373 -0.951 0.00 0.00 +0.163 A ATOM 15 C LIG 1 6.073 0.556 -1.244 0.00 0.00 +0.141 A BRANCH 14 16 ATOM 16 N LIG 1 7.448 2.645 -1.526 0.00 0.00 +0.059 N ATOM 17 O LIG 1 6.679 3.070 -2.397 0.00 0.00 -0.126 OA ATOM 18 O LIG 1 8.460 3.220 -1.104 0.00 0.00 -0.126 OA ENDBRANCH 14 16 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 3 5 BRANCH 1 20 ATOM 19 C LIG 1 -2.116 0.115 0.360 0.00 0.00 +0.142 C ATOM 20 N LIG 1 -1.628 -0.585 1.335 0.00 0.00 -0.187 NA BRANCH 19 23 ATOM 21 C LIG 1 -5.229 1.042 -1.515 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -3.899 0.875 -1.131 0.00 0.00 +0.058 A ATOM 23 C LIG 1 -3.569 0.233 0.075 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -4.585 -0.251 0.915 0.00 0.00 +0.129 A ATOM 25 C LIG 1 -5.918 -0.074 0.522 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -6.238 0.565 -0.684 0.00 0.00 +0.049 A BRANCH 21 28 ATOM 27 C LIG 1 -6.742 1.856 -3.160 0.00 0.00 +0.277 C ATOM 28 O LIG 1 -5.404 1.681 -2.710 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 24 29 ATOM 29 O LIG 1 -4.222 -0.840 2.095 0.00 0.00 -0.494 OA ATOM 30 C LIG 1 -5.214 -1.551 2.821 0.00 0.00 +0.277 C ENDBRANCH 24 29 ENDBRANCH 19 23 ENDBRANCH 1 20 TORSDOF 8