REMARK Name = BDB017375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.737 0.067 0.501 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.129 1.309 0.674 0.00 0.00 +0.063 A ATOM 3 C LIG 1 0.742 1.390 0.791 0.00 0.00 +0.146 A ATOM 4 F LIG 1 0.173 2.597 0.950 0.00 0.00 -0.203 F ATOM 5 C LIG 1 -0.076 0.253 0.765 0.00 0.00 +0.067 A ATOM 6 C LIG 1 0.537 -0.985 0.562 0.00 0.00 +0.028 A ATOM 7 C LIG 1 1.929 -1.077 0.441 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 4.939 2.042 0.563 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.121 0.840 0.404 0.00 0.00 +0.251 C ATOM 10 N LIG 1 4.129 -0.125 0.370 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.424 -1.087 0.239 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 6.528 0.364 0.233 0.00 0.00 +0.075 A ATOM 13 C LIG 1 6.865 -0.979 0.061 0.00 0.00 +0.170 A ATOM 14 F LIG 1 5.919 -1.932 0.040 0.00 0.00 -0.202 F ATOM 15 C LIG 1 8.196 -1.358 -0.093 0.00 0.00 +0.159 A ATOM 16 F LIG 1 8.506 -2.651 -0.257 0.00 0.00 -0.202 F ATOM 17 C LIG 1 9.216 -0.413 -0.079 0.00 0.00 +0.041 A ATOM 18 C LIG 1 8.898 0.933 0.092 0.00 0.00 +0.004 A ATOM 19 C LIG 1 7.562 1.319 0.247 0.00 0.00 +0.016 A ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 5 20 ATOM 20 N LIG 1 -1.483 0.397 0.835 0.00 0.00 -0.312 N ATOM 21 H LIG 1 -1.721 1.357 1.097 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.423 -0.502 1.407 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -3.745 -0.607 0.916 0.00 0.00 +0.042 A ATOM 24 C LIG 1 -4.614 -1.409 1.674 0.00 0.00 +0.143 A ATOM 25 N LIG 1 -5.947 -1.525 1.313 0.00 0.00 -0.307 N ATOM 26 H LIG 1 -6.534 -2.089 1.908 0.00 0.00 +0.170 HD ATOM 27 C LIG 1 -6.517 -0.892 0.259 0.00 0.00 +0.254 A ATOM 28 C LIG 1 -5.609 -0.079 -0.602 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -6.278 0.561 -1.793 0.00 0.00 +0.041 C ATOM 30 C LIG 1 -5.403 1.595 -2.496 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.985 1.072 -2.644 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.370 0.765 -1.274 0.00 0.00 +0.036 C ATOM 33 O LIG 1 -7.715 -0.998 0.016 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -4.282 -2.090 2.792 0.00 0.00 -0.237 NA ATOM 35 C LIG 1 -3.018 -1.965 3.223 0.00 0.00 +0.115 A ATOM 36 C LIG 1 -4.291 0.034 -0.320 0.00 0.00 -0.027 A ATOM 37 C LIG 1 -2.075 -1.183 2.586 0.00 0.00 +0.043 A ENDBRANCH 20 22 ENDBRANCH 5 20 TORSDOF 4