REMARK Name = BDB009323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.495 -0.270 -0.590 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.438 -0.578 -1.947 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.575 -0.148 -2.712 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.435 -1.351 -2.534 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.512 -1.798 -1.764 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.611 -1.460 -0.405 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.585 -0.700 0.178 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.112 1.568 0.664 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.523 0.586 0.046 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.872 0.257 -0.063 0.00 0.00 -0.295 N ATOM 11 C LIG 1 2.355 -1.114 -0.264 0.00 0.00 +0.123 C ATOM 12 C LIG 1 3.767 -1.147 -0.874 0.00 0.00 +0.103 C ATOM 13 N LIG 1 4.733 -0.349 -0.088 0.00 0.00 -0.295 NA ATOM 14 C LIG 1 4.240 1.046 0.002 0.00 0.00 +0.103 C ATOM 15 C LIG 1 2.830 1.132 0.615 0.00 0.00 +0.123 C BRANCH 13 16 ATOM 16 C LIG 1 6.065 -0.402 -0.721 0.00 0.00 +0.121 C BRANCH 16 17 ATOM 17 C LIG 1 7.163 0.152 0.165 0.00 0.00 -0.015 A ATOM 18 C LIG 1 7.939 1.272 -0.175 0.00 0.00 +0.045 A ATOM 19 CL LIG 1 7.702 2.151 -1.643 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 8.945 1.727 0.686 0.00 0.00 +0.020 A ATOM 21 C LIG 1 9.190 1.074 1.894 0.00 0.00 +0.001 A ATOM 22 C LIG 1 8.428 -0.035 2.247 0.00 0.00 +0.000 A ATOM 23 C LIG 1 7.425 -0.492 1.390 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -3.779 -1.929 0.434 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 -5.140 -1.603 -0.176 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -5.749 -0.255 0.051 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -5.027 0.798 0.845 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -5.650 2.192 0.720 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -7.170 2.127 0.795 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.734 1.237 -0.314 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -6.963 -0.043 -0.486 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -7.618 -1.106 -1.289 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -8.717 -0.942 -1.808 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -6.920 -2.276 -1.416 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -7.354 -3.017 -1.957 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -5.704 -2.546 -0.872 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5