REMARK Name = BDB000261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.167 -2.946 1.990 0.00 0.00 +0.038 C ATOM 2 C LIG 1 -3.109 -3.000 0.756 0.00 0.00 +0.075 C ATOM 3 C LIG 1 -4.153 -4.138 0.990 0.00 0.00 +0.100 C ATOM 4 N LIG 1 -4.466 -4.454 2.394 0.00 0.00 -0.314 NA ATOM 5 H LIG 1 -3.813 -5.162 2.732 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -4.365 -3.278 3.256 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -2.950 -2.690 3.294 0.00 0.00 +0.025 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 1.334 -0.406 1.526 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.064 0.160 1.634 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -1.068 -0.646 1.785 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.954 -2.041 1.829 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.328 -2.602 1.715 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.462 -1.793 1.565 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 2.353 0.495 1.384 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 3.680 -0.033 1.317 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 4.641 1.147 1.194 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 6.099 0.704 1.214 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 6.377 -0.262 0.200 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 6.667 0.318 -1.079 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 8.443 1.958 -1.880 0.00 0.00 +0.125 A ATOM 21 C LIG 1 8.103 0.788 -1.176 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.126 0.014 -0.599 0.00 0.00 +0.009 A ATOM 23 C LIG 1 10.459 0.407 -0.691 0.00 0.00 +0.001 A ATOM 24 C LIG 1 10.788 1.574 -1.372 0.00 0.00 +0.004 A ATOM 25 C LIG 1 9.786 2.346 -1.966 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 7.709 3.820 -3.182 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.399 2.646 -2.442 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 N LIG 1 -3.769 -1.705 0.498 0.00 0.00 -0.308 NA ATOM 29 H LIG 1 -4.619 -1.622 1.054 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.117 -1.526 -0.910 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 C LIG 1 -4.826 -0.209 -1.110 0.00 0.00 -0.032 A ATOM 32 C LIG 1 -6.221 -0.161 -1.258 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -6.894 1.055 -1.440 0.00 0.00 +0.031 A ATOM 34 N LIG 1 -8.297 1.053 -1.516 0.00 0.00 -0.344 N ATOM 35 H LIG 1 -8.654 0.210 -1.958 0.00 0.00 +0.146 HD ATOM 36 C LIG 1 -8.911 2.278 -2.011 0.00 0.00 +0.102 C ATOM 37 C LIG 1 -8.342 3.483 -1.280 0.00 0.00 +0.023 C ATOM 38 C LIG 1 -6.845 3.583 -1.550 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -6.157 2.251 -1.393 0.00 0.00 -0.026 A ATOM 40 C LIG 1 -4.763 2.210 -1.248 0.00 0.00 +0.006 A ATOM 41 C LIG 1 -4.104 0.990 -1.106 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 2 28 TORSDOF 12