REMARK Name = BDB034224 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.273 -0.236 -0.272 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -4.476 -1.171 0.381 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.821 -2.018 1.182 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.099 -0.946 -0.068 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.096 0.163 -0.907 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.911 0.605 -1.468 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.725 -0.088 -1.178 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.750 -1.205 -0.321 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.951 -1.645 0.247 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -4.475 0.712 -1.032 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 -10.357 0.994 1.276 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -9.200 0.670 1.020 0.00 0.00 +0.223 C ATOM 13 C LIG 1 -8.720 -0.236 -0.183 0.00 0.00 +0.080 C ATOM 14 C LIG 1 -7.617 0.431 -1.074 0.00 0.00 +0.048 C ATOM 15 C LIG 1 -6.666 0.040 0.118 0.00 0.00 +0.116 C ATOM 16 C LIG 1 -6.832 1.032 1.378 0.00 0.00 +0.243 C ATOM 17 O LIG 1 -5.961 1.714 1.917 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -7.585 -1.238 0.205 0.00 0.00 +0.048 C ATOM 19 N LIG 1 -8.150 1.138 1.785 0.00 0.00 -0.254 N ATOM 20 H LIG 1 -8.361 1.792 2.525 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 0.386 0.437 -1.780 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 1.628 -0.272 -1.654 0.00 0.00 +0.190 C ATOM 23 C LIG 1 2.375 0.137 -0.359 0.00 0.00 +0.097 C ATOM 24 C LIG 1 2.961 1.512 -0.730 0.00 0.00 +0.023 C ATOM 25 C LIG 1 3.161 1.519 -2.246 0.00 0.00 +0.005 C ATOM 26 C LIG 1 2.547 0.224 -2.772 0.00 0.00 +0.046 C BRANCH 23 27 ATOM 27 N LIG 1 3.267 -0.943 0.095 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 4.620 -0.989 -0.502 0.00 0.00 +0.094 C ATOM 29 C LIG 1 5.161 -1.360 0.909 0.00 0.00 +0.047 C ATOM 30 C LIG 1 3.877 -0.644 1.413 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 6.586 -0.825 1.364 0.00 0.00 -0.039 A ATOM 32 C LIG 1 7.563 -1.703 1.875 0.00 0.00 +0.042 A ATOM 33 C LIG 1 8.818 -1.248 2.277 0.00 0.00 +0.124 A ATOM 34 F LIG 1 9.712 -2.123 2.757 0.00 0.00 -0.205 F ATOM 35 C LIG 1 9.154 0.093 2.188 0.00 0.00 +0.038 A ATOM 36 C LIG 1 8.218 0.992 1.689 0.00 0.00 +0.003 A ATOM 37 C LIG 1 6.958 0.535 1.285 0.00 0.00 +0.004 A ENDBRANCH 29 31 ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5