REMARK Name = BDB000066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.286 -0.297 -0.481 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.151 0.485 0.015 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.465 0.629 0.137 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.635 -0.493 -0.103 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.194 -1.780 -0.007 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.547 -1.984 0.305 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -4.112 -3.291 0.425 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -5.488 -3.497 0.513 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -6.359 -2.287 0.272 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.789 -1.060 0.946 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -6.004 -4.602 0.685 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.238 -4.454 0.464 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.360 -0.868 0.531 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -3.817 0.422 0.458 0.00 0.00 +0.016 A BRANCH 3 19 ATOM 15 C LIG 1 -1.975 4.974 -2.295 0.00 0.00 +0.068 C ATOM 16 C LIG 1 -1.706 4.108 -1.103 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -2.213 2.813 -1.056 0.00 0.00 +0.152 A ATOM 18 F LIG 1 -2.944 2.344 -2.080 0.00 0.00 -0.203 F ATOM 19 C LIG 1 -1.957 2.007 0.057 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -1.195 2.553 1.097 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -0.723 3.850 0.973 0.00 0.00 +0.112 A ATOM 22 N LIG 1 -0.961 4.638 -0.099 0.00 0.00 -0.257 NA ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 C LIG 1 0.641 -1.095 -1.164 0.00 0.00 +0.044 A ATOM 24 C LIG 1 2.005 -0.935 -0.953 0.00 0.00 +0.071 A ATOM 25 C LIG 1 2.716 0.002 -0.084 0.00 0.00 +0.256 C ATOM 26 N LIG 1 4.052 -0.228 -0.258 0.00 0.00 -0.222 N ATOM 27 C LIG 1 4.270 -1.274 -1.113 0.00 0.00 +0.255 C ATOM 28 O LIG 1 5.325 -1.775 -1.452 0.00 0.00 -0.270 OA ATOM 29 O LIG 1 2.159 0.805 0.643 0.00 0.00 -0.269 OA ATOM 30 C LIG 1 2.959 -1.714 -1.584 0.00 0.00 +0.051 A ATOM 31 C LIG 1 2.620 -2.704 -2.482 0.00 0.00 +0.014 A ATOM 32 C LIG 1 1.260 -2.883 -2.739 0.00 0.00 +0.003 A ATOM 33 C LIG 1 0.287 -2.087 -2.091 0.00 0.00 +0.024 A BRANCH 26 34 ATOM 34 C LIG 1 5.117 0.390 0.517 0.00 0.00 +0.171 C ATOM 35 C LIG 1 5.120 -0.200 1.931 0.00 0.00 +0.240 C ATOM 36 O LIG 1 4.616 -1.283 2.223 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 5.787 0.538 2.883 0.00 0.00 -0.255 N ATOM 38 H LIG 1 5.795 0.148 3.816 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 6.260 1.822 2.769 0.00 0.00 +0.219 C ATOM 40 O LIG 1 6.731 2.411 3.737 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 6.220 2.438 1.389 0.00 0.00 +0.098 C ATOM 42 C LIG 1 5.040 1.913 0.585 0.00 0.00 +0.041 C ENDBRANCH 26 34 ENDBRANCH 1 23 TORSDOF 4