REMARK Name = BDB013074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.515 1.461 -0.169 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -1.262 1.840 -1.319 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -2.628 1.728 -1.245 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -3.102 2.215 -2.427 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -2.096 2.533 -3.210 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -3.293 1.225 -0.125 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.611 0.883 0.936 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.932 2.297 -2.510 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -1.236 1.006 0.880 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.774 1.568 0.082 0.00 0.00 +0.037 A ATOM 11 C LIG 1 3.149 1.058 -1.058 0.00 0.00 +0.013 A ATOM 12 C LIG 1 1.753 1.020 -1.129 0.00 0.00 +0.009 A ATOM 13 C LIG 1 0.964 1.503 -0.072 0.00 0.00 -0.013 A ATOM 14 C LIG 1 1.609 2.053 1.049 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.005 2.089 1.125 0.00 0.00 +0.013 A BRANCH 10 21 ATOM 16 C LIG 1 8.840 -2.533 0.420 0.00 0.00 +0.105 C ATOM 17 N LIG 1 7.767 -1.895 -0.341 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 8.149 -0.546 -0.812 0.00 0.00 +0.103 C ATOM 19 C LIG 1 7.463 0.625 -0.082 0.00 0.00 +0.123 C ATOM 20 N LIG 1 6.005 0.502 -0.083 0.00 0.00 -0.295 N ATOM 21 C LIG 1 5.251 1.642 0.178 0.00 0.00 +0.247 C ATOM 22 O LIG 1 5.753 2.719 0.495 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 5.478 -0.869 -0.095 0.00 0.00 +0.123 C ATOM 24 C LIG 1 6.511 -1.883 0.437 0.00 0.00 +0.103 C ENDBRANCH 10 21 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 N LIG 1 -4.663 1.087 -0.111 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -4.939 0.920 0.856 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -5.278 0.067 -0.959 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -6.646 -0.278 -0.446 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.843 -1.130 0.639 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.859 -1.811 1.518 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -6.798 -2.778 2.238 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.143 -2.249 2.190 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -8.123 -1.406 1.109 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -9.253 -0.852 0.540 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -9.080 0.001 -0.552 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -7.792 0.278 -1.032 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -7.665 1.102 -2.084 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 5