REMARK Name = BDB061878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.650 1.504 -1.063 0.00 0.00 +0.136 A ATOM 2 C LIG 1 1.166 2.693 -1.600 0.00 0.00 +0.041 A ATOM 3 C LIG 1 2.559 2.743 -1.682 0.00 0.00 +0.078 A ATOM 4 C LIG 1 3.153 3.891 -2.193 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.401 4.984 -2.631 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.016 4.936 -2.565 0.00 0.00 +0.001 A ATOM 7 N LIG 1 3.344 1.736 -1.293 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 2.774 0.623 -0.812 0.00 0.00 +0.220 A ATOM 9 C LIG 1 0.397 3.797 -2.054 0.00 0.00 +0.013 A ATOM 10 N LIG 1 1.450 0.491 -0.688 0.00 0.00 -0.199 NA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 3.582 -0.428 -0.447 0.00 0.00 -0.297 N ATOM 12 C LIG 1 3.035 -1.523 0.357 0.00 0.00 +0.123 C ATOM 13 C LIG 1 3.997 -1.875 1.515 0.00 0.00 +0.103 C ATOM 14 N LIG 1 5.359 -2.265 1.082 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 6.320 -2.051 2.160 0.00 0.00 +0.105 C ATOM 16 C LIG 1 5.757 -1.565 -0.159 0.00 0.00 +0.103 C ATOM 17 C LIG 1 5.029 -0.230 -0.435 0.00 0.00 +0.123 C ENDBRANCH 8 11 BRANCH 1 18 ATOM 18 N LIG 1 -0.758 1.380 -0.894 0.00 0.00 -0.299 N ATOM 19 H LIG 1 -1.085 2.172 -0.352 0.00 0.00 +0.154 HD BRANCH 18 25 ATOM 20 N LIG 1 -4.732 -1.028 0.875 0.00 0.00 -0.324 N ATOM 21 C LIG 1 -3.513 -0.803 0.274 0.00 0.00 +0.071 A ATOM 22 C LIG 1 -3.098 -2.066 -0.132 0.00 0.00 +0.089 A ATOM 23 C LIG 1 -1.878 -2.204 -0.805 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -1.103 -1.059 -1.042 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -1.503 0.210 -0.603 0.00 0.00 +0.034 A ATOM 26 N LIG 1 -4.020 -3.021 0.208 0.00 0.00 -0.233 NA ATOM 27 C LIG 1 -2.750 0.352 0.039 0.00 0.00 +0.051 A ATOM 28 C LIG 1 -5.001 -2.379 0.809 0.00 0.00 +0.108 A ATOM 29 C LIG 1 -6.235 -3.009 1.343 0.00 0.00 +0.086 C BRANCH 20 30 ATOM 30 C LIG 1 -5.570 -0.014 1.498 0.00 0.00 +0.150 C BRANCH 30 32 ATOM 31 C LIG 1 -7.889 0.591 0.732 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.565 0.560 0.531 0.00 0.00 -0.013 C ENDBRANCH 30 32 ENDBRANCH 20 30 ENDBRANCH 18 25 ENDBRANCH 1 18 TORSDOF 5