REMARK Name = BDB052396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.074 -0.659 -2.280 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -3.113 -0.289 -1.348 0.00 0.00 -0.264 N ATOM 3 C LIG 1 -2.969 0.206 -0.086 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -1.777 0.492 0.689 0.00 0.00 +0.097 A ATOM 5 C LIG 1 -1.940 1.243 1.844 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -3.280 1.811 2.245 0.00 0.00 +0.043 C ATOM 7 C LIG 1 -4.499 0.998 1.737 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -0.775 1.501 2.516 0.00 0.00 +0.120 A ATOM 9 N LIG 1 0.426 1.042 2.114 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 0.471 0.288 0.999 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.608 -0.001 0.256 0.00 0.00 -0.212 NA ATOM 12 C LIG 1 -4.249 0.450 0.374 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -5.117 0.043 -0.667 0.00 0.00 +0.151 A ATOM 14 N LIG 1 -4.409 -0.409 -1.727 0.00 0.00 -0.166 NA ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 -6.587 0.068 -0.677 0.00 0.00 +0.262 C ATOM 16 O LIG 1 -7.277 0.451 0.261 0.00 0.00 -0.269 OA ATOM 17 N LIG 1 -7.143 -0.383 -1.841 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -8.145 -0.439 -1.933 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -6.524 -0.719 -2.570 0.00 0.00 +0.145 HD ENDBRANCH 13 15 BRANCH 10 20 ATOM 20 N LIG 1 1.743 -0.135 0.632 0.00 0.00 -0.283 N ATOM 21 H LIG 1 2.428 0.275 1.254 0.00 0.00 +0.155 HD BRANCH 20 22 ATOM 22 C LIG 1 2.232 -1.070 -0.296 0.00 0.00 +0.041 A ATOM 23 C LIG 1 3.603 -1.046 -0.669 0.00 0.00 +0.003 A ATOM 24 C LIG 1 4.076 -1.970 -1.623 0.00 0.00 +0.010 A ATOM 25 C LIG 1 3.221 -2.897 -2.215 0.00 0.00 +0.001 A ATOM 26 C LIG 1 1.878 -2.915 -1.861 0.00 0.00 +0.002 A ATOM 27 C LIG 1 1.392 -2.007 -0.916 0.00 0.00 +0.024 A BRANCH 23 28 ATOM 28 C LIG 1 4.555 -0.080 -0.094 0.00 0.00 -0.016 A ATOM 29 C LIG 1 5.527 -0.495 0.829 0.00 0.00 +0.008 A ATOM 30 C LIG 1 6.425 0.422 1.380 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.364 1.765 1.014 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.406 2.192 0.097 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.509 1.276 -0.454 0.00 0.00 +0.008 A ENDBRANCH 23 28 ENDBRANCH 20 22 ENDBRANCH 10 20 TORSDOF 4