REMARK Name = BDB017458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.736 -3.280 -0.772 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.483 -2.091 -0.511 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.714 -1.411 0.418 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.398 -2.171 0.640 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.402 -3.319 -0.057 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.758 -1.687 -1.089 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.347 -0.598 -0.501 0.00 0.00 -0.306 N ATOM 8 H LIG 1 -2.923 -0.125 0.287 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -3.279 -2.286 -2.024 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.620 -0.075 -0.947 0.00 0.00 +0.163 C BRANCH 10 11 ATOM 11 C LIG 1 -5.137 0.991 -0.009 0.00 0.00 +0.097 A ATOM 12 C LIG 1 -6.434 1.463 -0.164 0.00 0.00 +0.187 A ATOM 13 F LIG 1 -7.217 0.966 -1.134 0.00 0.00 -0.200 F ATOM 14 C LIG 1 -6.914 2.450 0.698 0.00 0.00 +0.158 A ATOM 15 C LIG 1 -6.067 2.941 1.688 0.00 0.00 +0.068 A ATOM 16 C LIG 1 -4.782 2.424 1.774 0.00 0.00 +0.115 A ATOM 17 N LIG 1 -4.294 1.465 0.957 0.00 0.00 -0.255 NA BRANCH 14 18 ATOM 18 O LIG 1 -8.205 2.849 0.482 0.00 0.00 -0.492 OA ATOM 19 C LIG 1 -8.741 3.828 1.363 0.00 0.00 +0.277 C ENDBRANCH 14 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 20 ATOM 20 C LIG 1 -1.068 -4.408 -1.708 0.00 0.00 +0.217 C BRANCH 20 22 ATOM 21 C LIG 1 -3.111 -5.334 -0.922 0.00 0.00 +0.194 C ATOM 22 O LIG 1 -1.712 -5.520 -1.068 0.00 0.00 -0.377 OA ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 4 23 ATOM 23 C LIG 1 1.482 -1.876 1.565 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 2.560 -1.050 0.910 0.00 0.00 -0.026 A ATOM 25 C LIG 1 3.621 -1.678 0.247 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.620 -0.922 -0.368 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.569 0.477 -0.355 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.505 1.106 0.304 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.511 0.350 0.931 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.653 1.285 -1.033 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 6.678 1.750 -0.102 0.00 0.00 -0.311 N ATOM 32 C LIG 1 7.769 0.916 0.152 0.00 0.00 +0.252 A ATOM 33 O LIG 1 7.954 -0.182 -0.365 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 8.773 1.436 1.123 0.00 0.00 +0.070 A ATOM 35 C LIG 1 8.610 2.641 1.685 0.00 0.00 +0.007 A ATOM 36 C LIG 1 7.456 3.444 1.371 0.00 0.00 +0.018 A ATOM 37 C LIG 1 6.541 2.988 0.507 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10