REMARK Name = BDB006958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.272 -1.303 -0.416 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.111 -1.782 0.180 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -1.045 -1.156 0.686 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -1.958 -2.127 1.120 0.00 0.00 -0.013 A ATOM 5 C LIG 1 -3.201 -1.766 1.633 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.525 -0.415 1.737 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -2.622 0.578 1.315 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -1.450 -3.541 0.871 0.00 0.00 +0.053 C ATOM 9 C LIG 1 -2.262 -4.149 -0.292 0.00 0.00 +0.024 C ATOM 10 C LIG 1 -1.369 0.190 0.799 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.003 -3.227 0.431 0.00 0.00 +0.131 C ATOM 12 O LIG 1 2.179 -2.097 -0.692 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -1.444 -4.495 2.073 0.00 0.00 +0.053 A ATOM 14 N LIG 1 -2.060 -4.109 3.220 0.00 0.00 -0.259 NA ATOM 15 C LIG 1 -2.046 -4.957 4.275 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -1.448 -6.202 4.252 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.825 -6.602 3.078 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -0.822 -5.745 1.978 0.00 0.00 +0.024 A ENDBRANCH 8 13 BRANCH 1 19 ATOM 19 C LIG 1 1.371 0.201 -0.711 0.00 0.00 +0.181 C BRANCH 19 21 ATOM 20 C LIG 1 2.492 2.030 -1.965 0.00 0.00 +0.097 C ATOM 21 N LIG 1 2.559 0.606 -1.502 0.00 0.00 -0.286 NA ATOM 22 C LIG 1 3.831 0.436 -0.758 0.00 0.00 +0.103 C ATOM 23 C LIG 1 4.039 1.443 0.407 0.00 0.00 +0.065 C ATOM 24 C LIG 1 5.405 1.237 1.057 0.00 0.00 +0.025 C ATOM 25 N LIG 1 3.934 2.842 -0.039 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 3.955 3.465 0.767 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 2.702 3.056 -0.810 0.00 0.00 +0.102 C BRANCH 20 28 ATOM 28 C LIG 1 1.220 2.424 -2.758 0.00 0.00 +0.179 C BRANCH 28 30 ATOM 29 C LIG 1 -0.123 1.921 -4.631 0.00 0.00 +0.194 C ATOM 30 O LIG 1 1.048 1.582 -3.902 0.00 0.00 -0.381 OA ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 7 31 ATOM 31 C LIG 1 -3.003 2.034 1.509 0.00 0.00 +0.070 C BRANCH 31 32 ATOM 32 C LIG 1 -2.392 3.023 0.540 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -1.375 3.893 0.955 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -0.820 4.809 0.062 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.281 4.869 -1.253 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.287 4.005 -1.679 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.836 3.083 -0.789 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 7