REMARK Name = BDB001068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.935 1.450 1.753 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.257 1.997 2.989 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.656 3.111 3.431 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.187 1.368 3.809 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.811 0.193 3.381 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.520 -0.356 2.121 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.562 0.277 1.313 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 -3.900 0.296 -0.047 0.00 0.00 -0.299 NA ATOM 9 C LIG 1 -3.256 0.191 1.279 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -1.718 0.278 1.271 0.00 0.00 +0.123 C ATOM 11 N LIG 1 -1.234 1.492 0.603 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -0.036 2.135 0.885 0.00 0.00 +0.249 C ATOM 13 O LIG 1 0.282 3.226 0.422 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -2.169 2.127 -0.327 0.00 0.00 +0.123 C ATOM 15 C LIG 1 -3.086 1.090 -0.998 0.00 0.00 +0.103 C BRANCH 8 16 ATOM 16 C LIG 1 -4.254 -1.024 -0.588 0.00 0.00 +0.084 C BRANCH 16 17 ATOM 17 C LIG 1 -5.106 -0.978 -1.866 0.00 0.00 +0.015 C BRANCH 17 19 ATOM 18 C LIG 1 -7.288 -0.305 -2.932 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -6.448 -0.269 -1.665 0.00 0.00 -0.002 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 3.194 -1.639 1.685 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 3.597 -1.662 0.216 0.00 0.00 +0.074 A ATOM 22 C LIG 1 4.797 -0.913 -0.238 0.00 0.00 +0.011 A ATOM 23 C LIG 1 5.107 -0.975 -1.596 0.00 0.00 +0.050 A ATOM 24 C LIG 1 6.221 -0.296 -2.106 0.00 0.00 +0.014 A ATOM 25 C LIG 1 7.027 0.451 -1.249 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.721 0.519 0.109 0.00 0.00 +0.001 A ATOM 27 C LIG 1 4.249 -1.764 -2.494 0.00 0.00 +0.272 A ATOM 28 O LIG 1 4.488 -1.855 -3.692 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 3.174 -2.387 -1.909 0.00 0.00 -0.242 N ATOM 30 H LIG 1 2.573 -2.937 -2.515 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 5.609 -0.160 0.618 0.00 0.00 +0.010 A ATOM 32 N LIG 1 2.843 -2.349 -0.591 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 6