REMARK Name = BDB006352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.133 -1.371 -2.947 0.00 0.00 -0.342 N ATOM 2 C LIG 1 -0.142 -1.586 -2.454 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -0.984 -0.675 -3.102 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -2.358 -0.667 -2.790 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.855 -1.561 -1.831 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.000 -2.474 -1.208 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.183 0.084 -3.997 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -0.632 -2.500 -1.506 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.110 -0.368 -3.887 0.00 0.00 +0.087 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.311 -1.520 -1.524 0.00 0.00 +0.245 C ATOM 11 N LIG 1 -4.667 -1.867 -0.236 0.00 0.00 -0.305 N ATOM 12 H LIG 1 -3.938 -1.873 0.464 0.00 0.00 +0.150 HD ATOM 13 O LIG 1 -5.112 -1.162 -2.379 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 -6.030 -1.692 0.241 0.00 0.00 +0.100 C ATOM 15 C LIG 1 -6.409 -2.845 1.171 0.00 0.00 +0.033 C BRANCH 14 16 ATOM 16 C LIG 1 -6.175 -0.313 0.872 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -6.612 0.758 0.071 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -6.736 2.047 0.594 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -6.411 2.278 1.934 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -5.959 1.231 2.745 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -5.837 -0.056 2.211 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -6.537 3.630 2.492 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -6.203 3.797 3.674 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -6.971 4.524 1.752 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 5 10 BRANCH 1 25 ATOM 25 C LIG 1 2.333 -2.119 -2.588 0.00 0.00 +0.157 C BRANCH 25 29 ATOM 26 C LIG 1 4.965 0.157 0.016 0.00 0.00 -0.018 A ATOM 27 C LIG 1 3.724 -0.310 0.474 0.00 0.00 +0.009 A ATOM 28 C LIG 1 2.874 -1.044 -0.361 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.242 -1.328 -1.682 0.00 0.00 -0.028 A ATOM 30 C LIG 1 4.479 -0.864 -2.147 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.327 -0.133 -1.308 0.00 0.00 +0.009 A BRANCH 26 36 ATOM 32 C LIG 1 8.483 3.230 3.462 0.00 0.00 +0.044 C ATOM 33 C LIG 1 7.569 2.418 2.594 0.00 0.00 -0.050 A ATOM 34 C LIG 1 6.247 2.822 2.388 0.00 0.00 +0.004 A ATOM 35 C LIG 1 5.401 2.084 1.553 0.00 0.00 +0.009 A ATOM 36 C LIG 1 5.856 0.931 0.895 0.00 0.00 -0.018 A ATOM 37 C LIG 1 7.190 0.544 1.098 0.00 0.00 +0.009 A ATOM 38 C LIG 1 8.038 1.279 1.933 0.00 0.00 +0.004 A ENDBRANCH 26 36 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 7