REMARK Name = BDB065317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.261 -1.417 1.474 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.225 -2.735 1.912 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.843 -3.105 3.042 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.423 -3.703 1.154 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.048 -3.347 -0.045 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.044 -2.014 -0.489 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.374 -1.050 0.280 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -4.551 0.206 -1.123 0.00 0.00 +0.038 C ATOM 9 C LIG 1 -3.414 0.809 -0.282 0.00 0.00 +0.076 C ATOM 10 N LIG 1 -3.885 1.925 0.534 0.00 0.00 -0.240 N ATOM 11 C LIG 1 -3.532 2.172 1.831 0.00 0.00 +0.077 A ATOM 12 C LIG 1 -4.189 3.345 2.122 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -4.894 3.759 1.027 0.00 0.00 -0.138 NA ATOM 14 C LIG 1 -2.647 1.285 2.610 0.00 0.00 +0.164 C ATOM 15 N LIG 1 -2.029 0.283 1.745 0.00 0.00 -0.289 N ATOM 16 C LIG 1 -0.933 -0.394 2.289 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.462 -0.143 3.394 0.00 0.00 -0.270 OA ATOM 18 N LIG 1 -4.694 2.882 0.051 0.00 0.00 -0.065 NA ATOM 19 C LIG 1 -2.879 -0.277 0.681 0.00 0.00 +0.138 C ATOM 20 C LIG 1 -2.289 1.296 -1.212 0.00 0.00 +0.038 C ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 C LIG 1 1.694 -1.664 -1.811 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 2.325 -0.279 -1.852 0.00 0.00 +0.074 A ATOM 23 C LIG 1 3.642 -0.043 -1.208 0.00 0.00 +0.011 A ATOM 24 C LIG 1 4.165 1.247 -1.287 0.00 0.00 +0.050 A ATOM 25 C LIG 1 5.401 1.553 -0.706 0.00 0.00 +0.014 A ATOM 26 C LIG 1 6.116 0.560 -0.038 0.00 0.00 +0.001 A ATOM 27 C LIG 1 5.597 -0.731 0.049 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.398 2.291 -1.985 0.00 0.00 +0.272 A ATOM 29 O LIG 1 3.823 3.436 -2.090 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 2.187 1.906 -2.506 0.00 0.00 -0.242 N ATOM 31 H LIG 1 1.647 2.615 -2.993 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 4.362 -1.036 -0.533 0.00 0.00 +0.010 A ATOM 33 N LIG 1 1.651 0.657 -2.454 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 3