REMARK Name = BDB018757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.263 0.147 -0.675 0.00 0.00 -0.001 A ATOM 2 C LIG 1 1.059 0.834 -0.474 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -0.156 0.268 -0.879 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -1.450 1.023 -0.750 0.00 0.00 +0.054 C ATOM 5 C LIG 1 -2.645 0.078 -0.574 0.00 0.00 +0.069 C ATOM 6 C LIG 1 -3.972 0.852 -0.615 0.00 0.00 +0.132 C ATOM 7 N LIG 1 -4.835 0.275 0.463 0.00 0.00 -0.268 N ATOM 8 C LIG 1 -4.133 -0.892 1.043 0.00 0.00 +0.117 C ATOM 9 C LIG 1 -2.597 -1.006 -1.654 0.00 0.00 +0.225 C ATOM 10 N LIG 1 -1.363 -1.538 -1.931 0.00 0.00 -0.285 N ATOM 11 H LIG 1 -1.359 -2.346 -2.541 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -3.598 -1.479 -2.187 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -2.662 -0.584 0.813 0.00 0.00 +0.037 C ATOM 14 C LIG 1 -0.155 -0.982 -1.503 0.00 0.00 +0.037 A ATOM 15 C LIG 1 1.039 -1.662 -1.734 0.00 0.00 +0.024 A ATOM 16 C LIG 1 2.246 -1.098 -1.314 0.00 0.00 +0.012 A ENDROOT BRANCH 1 19 ATOM 17 C LIG 1 4.082 -0.940 1.541 0.00 0.00 +0.149 C ATOM 18 N LIG 1 4.343 0.238 0.741 0.00 0.00 -0.350 N ATOM 19 C LIG 1 3.525 0.747 -0.248 0.00 0.00 +0.049 A ATOM 20 C LIG 1 4.128 1.910 -0.703 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.338 2.087 0.006 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.447 1.039 0.890 0.00 0.00 +0.086 A ENDBRANCH 1 19 BRANCH 7 23 ATOM 23 C LIG 1 -6.164 0.438 0.508 0.00 0.00 +0.169 C ATOM 24 N LIG 1 -7.311 0.584 0.555 0.00 0.00 -0.174 NA ENDBRANCH 7 23 TORSDOF 2