REMARK Name = BDB023413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.053 -1.953 -1.133 0.00 0.00 -0.025 A ATOM 2 C LIG 1 0.896 -1.502 -1.782 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.303 -2.232 -1.721 0.00 0.00 -0.033 A ATOM 4 C LIG 1 -0.332 -3.429 -0.995 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.819 -3.895 -0.359 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.007 -3.164 -0.433 0.00 0.00 +0.008 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.144 -0.964 -0.242 0.00 0.00 +0.068 C ATOM 8 C LIG 1 3.286 -1.165 -1.254 0.00 0.00 +0.013 C BRANCH 7 11 ATOM 9 N LIG 1 6.110 -0.027 0.697 0.00 0.00 -0.280 N ATOM 10 H LIG 1 5.793 -0.485 1.546 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 5.364 -0.133 -0.453 0.00 0.00 +0.241 C ATOM 12 O LIG 1 5.616 0.358 -1.545 0.00 0.00 -0.270 OA BRANCH 9 14 ATOM 13 C LIG 1 7.867 0.610 2.188 0.00 0.00 +0.046 A ATOM 14 C LIG 1 7.303 0.700 0.897 0.00 0.00 +0.054 A ATOM 15 C LIG 1 7.914 1.492 -0.074 0.00 0.00 +0.025 A ATOM 16 C LIG 1 9.098 2.172 0.224 0.00 0.00 +0.002 A ATOM 17 C LIG 1 9.680 2.053 1.485 0.00 0.00 +0.002 A ATOM 18 C LIG 1 9.076 1.258 2.460 0.00 0.00 +0.024 A BRANCH 13 19 ATOM 19 N LIG 1 7.337 -0.325 3.122 0.00 0.00 -0.357 N ATOM 20 H LIG 1 7.615 -0.081 4.071 0.00 0.00 +0.142 HD ATOM 21 H LIG 1 7.715 -1.248 2.904 0.00 0.00 +0.142 HD ENDBRANCH 13 19 ENDBRANCH 9 14 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -1.541 -1.718 -2.416 0.00 0.00 +0.116 C BRANCH 22 23 ATOM 23 N LIG 1 -2.081 -0.556 -1.716 0.00 0.00 -0.308 NA ATOM 24 H LIG 1 -2.282 -0.808 -0.750 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.301 -0.074 -2.354 0.00 0.00 +0.116 C BRANCH 25 26 ATOM 26 C LIG 1 -3.888 1.087 -1.586 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -5.113 0.956 -0.910 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -5.647 2.032 -0.200 0.00 0.00 +0.121 A ATOM 29 C LIG 1 -4.964 3.248 -0.168 0.00 0.00 +0.045 A ATOM 30 C LIG 1 -3.745 3.390 -0.830 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.208 2.313 -1.534 0.00 0.00 +0.005 A BRANCH 28 32 ATOM 32 O LIG 1 -6.836 2.013 0.488 0.00 0.00 -0.489 OA BRANCH 32 33 ATOM 33 C LIG 1 -7.501 0.753 0.707 0.00 0.00 +0.173 C ATOM 34 C LIG 1 -6.870 -0.209 1.750 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -8.298 -0.543 2.215 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -8.725 0.828 1.659 0.00 0.00 +0.044 C ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10