REMARK Name = BDB056019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.915 -0.979 -0.439 0.00 0.00 +0.094 A ATOM 2 N LIG 1 1.710 -0.743 -1.748 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 0.393 -0.520 -1.848 0.00 0.00 -0.263 N ATOM 4 H LIG 1 0.019 -0.315 -2.766 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -0.283 -0.601 -0.664 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.682 -0.898 0.270 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.844 -1.831 1.094 0.00 0.00 -0.030 A ATOM 8 C LIG 1 5.637 -1.633 -0.276 0.00 0.00 +0.006 A ATOM 9 C LIG 1 4.358 -1.357 -0.769 0.00 0.00 +0.010 A ATOM 10 C LIG 1 3.254 -1.269 0.092 0.00 0.00 +0.002 A ATOM 11 C LIG 1 3.468 -1.461 1.464 0.00 0.00 +0.010 A ATOM 12 C LIG 1 4.748 -1.736 1.961 0.00 0.00 +0.006 A BRANCH 7 13 ATOM 13 C LIG 1 7.229 -2.099 1.625 0.00 0.00 +0.141 C BRANCH 13 17 ATOM 14 N LIG 1 9.374 0.787 1.103 0.00 0.00 -0.252 N ATOM 15 H LIG 1 9.171 1.220 1.988 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.859 -0.449 0.809 0.00 0.00 +0.305 C ATOM 17 N LIG 1 7.970 -0.865 1.777 0.00 0.00 -0.295 N ATOM 18 H LIG 1 7.507 -0.139 2.303 0.00 0.00 +0.151 HD ATOM 19 O LIG 1 9.146 -1.130 -0.167 0.00 0.00 -0.252 OA BRANCH 14 24 ATOM 20 C LIG 1 12.513 2.525 -2.386 0.00 0.00 +0.089 C ATOM 21 C LIG 1 11.640 2.202 -1.245 0.00 0.00 +0.136 A ATOM 22 O LIG 1 11.609 3.104 -0.230 0.00 0.00 -0.358 OA ATOM 23 N LIG 1 10.749 2.656 0.755 0.00 0.00 -0.063 NA ATOM 24 C LIG 1 10.271 1.483 0.324 0.00 0.00 +0.169 A ATOM 25 C LIG 1 10.807 1.155 -0.941 0.00 0.00 +0.091 A ENDBRANCH 14 24 ENDBRANCH 13 17 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 5 26 ATOM 26 N LIG 1 -1.648 -0.405 -0.582 0.00 0.00 -0.267 N ATOM 27 H LIG 1 -2.157 -0.172 -1.425 0.00 0.00 +0.157 HD ATOM 28 C LIG 1 -2.331 -0.421 0.625 0.00 0.00 +0.249 C ATOM 29 O LIG 1 -1.841 -0.547 1.741 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.803 -0.224 0.510 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -4.542 -0.766 -0.541 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -5.926 -0.550 -0.607 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -6.616 0.197 0.364 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -5.844 0.711 1.420 0.00 0.00 +0.024 A ATOM 35 C LIG 1 -4.461 0.503 1.501 0.00 0.00 +0.015 A BRANCH 33 36 ATOM 36 N LIG 1 -7.982 0.404 0.288 0.00 0.00 -0.327 N ATOM 37 C LIG 1 -8.772 0.821 1.460 0.00 0.00 +0.120 C ATOM 38 C LIG 1 -10.248 0.384 1.307 0.00 0.00 +0.103 C ATOM 39 N LIG 1 -10.928 0.956 0.125 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -12.057 0.119 -0.271 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -9.982 1.172 -0.989 0.00 0.00 +0.103 C ATOM 42 C LIG 1 -8.718 0.280 -0.982 0.00 0.00 +0.120 C ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 5 26 TORSDOF 7