REMARK Name = BDB004897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.515 0.055 -1.831 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.519 -0.892 -1.585 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.748 -0.787 -2.190 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.007 0.291 -3.043 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.020 1.240 -3.297 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.234 1.121 -2.695 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.313 -0.956 -0.410 0.00 0.00 +0.250 C ATOM 8 N LIG 1 2.802 0.017 -1.251 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.426 0.758 -1.546 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.763 -1.994 -0.064 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 7.217 -0.216 1.009 0.00 0.00 +0.214 A ATOM 12 N LIG 1 6.378 0.836 0.878 0.00 0.00 -0.221 NA ATOM 13 C LIG 1 5.128 0.564 0.432 0.00 0.00 +0.127 A ATOM 14 C LIG 1 4.688 -0.706 0.082 0.00 0.00 +0.055 A ATOM 15 C LIG 1 5.573 -1.773 0.244 0.00 0.00 +0.020 A ATOM 16 C LIG 1 6.862 -1.524 0.711 0.00 0.00 +0.068 A BRANCH 11 18 ATOM 17 C LIG 1 8.790 1.337 1.775 0.00 0.00 +0.279 C ATOM 18 O LIG 1 8.506 -0.022 1.460 0.00 0.00 -0.480 OA ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 -1.820 -1.813 -1.894 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 -2.421 -1.578 -0.584 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.714 -1.267 0.077 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.527 -0.707 -0.523 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.100 -0.404 0.732 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.200 0.477 0.731 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.774 0.809 1.977 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.277 0.271 3.180 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.208 -0.609 3.170 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.678 0.970 -0.434 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.083 0.584 -1.568 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -3.626 -0.944 1.955 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -4.037 -0.232 -1.669 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -6.938 1.740 2.123 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -7.422 1.997 3.221 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -7.462 2.309 1.001 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -8.262 2.918 1.088 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -7.092 2.083 0.082 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 7