REMARK Name = BDB063434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.414 0.766 -0.181 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.846 0.126 0.994 0.00 0.00 +0.145 A ATOM 3 F LIG 1 -0.065 -0.251 1.905 0.00 0.00 -0.204 F ATOM 4 C LIG 1 2.189 -0.138 1.249 0.00 0.00 +0.053 A ATOM 5 C LIG 1 3.149 0.231 0.307 0.00 0.00 +0.040 A ATOM 6 C LIG 1 2.752 0.887 -0.864 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.394 1.145 -1.103 0.00 0.00 +0.027 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 4.579 -0.066 0.595 0.00 0.00 +0.250 C ATOM 9 N LIG 1 5.323 -0.435 -0.510 0.00 0.00 -0.252 N ATOM 10 H LIG 1 4.864 -0.567 -1.398 0.00 0.00 +0.158 HD ATOM 11 O LIG 1 4.955 0.004 1.759 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 6.664 -0.713 -0.409 0.00 0.00 +0.201 A ATOM 13 N LIG 1 7.386 -1.138 -1.496 0.00 0.00 -0.326 N ATOM 14 H LIG 1 7.024 -1.288 -2.424 0.00 0.00 +0.169 HD ATOM 15 C LIG 1 8.689 -1.333 -1.109 0.00 0.00 +0.068 A ATOM 16 C LIG 1 8.698 -1.004 0.244 0.00 0.00 +0.103 A ATOM 17 C LIG 1 9.902 -1.097 0.967 0.00 0.00 +0.064 A ATOM 18 C LIG 1 11.057 -1.521 0.284 0.00 0.00 +0.015 A ATOM 19 C LIG 1 11.014 -1.843 -1.076 0.00 0.00 +0.003 A ATOM 20 C LIG 1 9.823 -1.756 -1.805 0.00 0.00 +0.028 A ATOM 21 N LIG 1 7.436 -0.623 0.646 0.00 0.00 -0.214 NA BRANCH 17 22 ATOM 22 C LIG 1 9.980 -0.764 2.408 0.00 0.00 +0.244 C ATOM 23 O LIG 1 11.039 -0.840 3.023 0.00 0.00 -0.270 OA ATOM 24 N LIG 1 8.830 -0.370 3.028 0.00 0.00 -0.325 N ATOM 25 H LIG 1 8.845 -0.141 4.010 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 7.943 -0.309 2.524 0.00 0.00 +0.145 HD ENDBRANCH 17 22 ENDBRANCH 9 12 ENDBRANCH 5 8 BRANCH 1 27 ATOM 27 N LIG 1 -0.957 0.980 -0.361 0.00 0.00 -0.281 N ATOM 28 H LIG 1 -1.556 0.693 0.405 0.00 0.00 +0.155 HD BRANCH 27 31 ATOM 29 C LIG 1 -3.876 2.103 -2.036 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -3.047 1.574 -1.115 0.00 0.00 -0.199 NA ATOM 31 C LIG 1 -1.732 1.538 -1.370 0.00 0.00 +0.221 A ATOM 32 N LIG 1 -1.191 1.993 -2.508 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 -2.032 2.503 -3.420 0.00 0.00 +0.118 A ATOM 34 C LIG 1 -3.389 2.584 -3.236 0.00 0.00 +0.064 A BRANCH 29 35 ATOM 35 N LIG 1 -5.280 2.143 -1.786 0.00 0.00 -0.288 N ATOM 36 C LIG 1 -5.748 3.529 -1.657 0.00 0.00 +0.137 C BRANCH 35 44 ATOM 37 C LIG 1 -7.885 -3.190 1.454 0.00 0.00 +0.066 C ATOM 38 C LIG 1 -7.875 -1.724 1.227 0.00 0.00 +0.044 A ATOM 39 N LIG 1 -8.706 -0.851 1.889 0.00 0.00 -0.270 N ATOM 40 C LIG 1 -9.699 -1.184 2.885 0.00 0.00 +0.172 C ATOM 41 N LIG 1 -8.559 0.441 1.530 0.00 0.00 -0.171 NA ATOM 42 C LIG 1 -7.573 0.437 0.619 0.00 0.00 +0.095 A ATOM 43 C LIG 1 -6.995 1.512 -0.082 0.00 0.00 +0.053 A ATOM 44 C LIG 1 -5.952 1.165 -0.982 0.00 0.00 +0.037 A ATOM 45 C LIG 1 -5.566 -0.223 -1.146 0.00 0.00 +0.024 A ATOM 46 C LIG 1 -6.126 -1.326 -0.460 0.00 0.00 +0.013 A ATOM 47 C LIG 1 -7.126 -0.913 0.409 0.00 0.00 +0.023 A ENDBRANCH 35 44 ENDBRANCH 29 35 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 7