REMARK Name = BDB003989 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.456 -0.463 -2.677 0.00 0.00 +0.130 A ATOM 2 C LIG 1 2.390 -0.726 -1.653 0.00 0.00 +0.055 A ATOM 3 C LIG 1 2.091 -0.620 -0.251 0.00 0.00 +0.201 A ATOM 4 O LIG 1 2.974 -0.869 0.650 0.00 0.00 -0.287 OA ATOM 5 C LIG 1 0.740 -0.216 0.046 0.00 0.00 +0.114 A ATOM 6 C LIG 1 -0.193 0.046 -0.991 0.00 0.00 -0.017 A ATOM 7 C LIG 1 0.164 -0.077 -2.335 0.00 0.00 +0.051 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 0.225 -0.045 1.474 0.00 0.00 +0.391 C ATOM 9 O LIG 1 -0.360 -1.047 2.016 0.00 0.00 -0.240 OA ATOM 10 O LIG 1 0.277 1.127 1.985 0.00 0.00 -0.240 OA ENDBRANCH 5 8 BRANCH 1 12 ATOM 11 C LIG 1 1.045 -0.320 -5.032 0.00 0.00 +0.252 C ATOM 12 O LIG 1 1.920 -0.623 -3.964 0.00 0.00 -0.472 OA ENDBRANCH 1 12 BRANCH 2 13 ATOM 13 C LIG 1 3.726 -1.127 -2.025 0.00 0.00 +0.058 C BRANCH 13 14 ATOM 14 C LIG 1 5.197 -1.562 -1.969 0.00 0.00 -0.030 C ATOM 15 C LIG 1 6.360 -1.901 -1.515 0.00 0.00 -0.048 C ATOM 16 C LIG 1 7.545 -2.260 -2.429 0.00 0.00 +0.026 C BRANCH 15 17 ATOM 17 C LIG 1 6.472 -1.920 -0.108 0.00 0.00 +0.026 C BRANCH 17 18 ATOM 18 C LIG 1 6.129 -1.804 1.385 0.00 0.00 +0.030 C BRANCH 18 19 ATOM 19 C LIG 1 5.439 -1.585 2.744 0.00 0.00 -0.034 C ATOM 20 C LIG 1 4.781 -1.379 3.845 0.00 0.00 -0.048 C ATOM 21 C LIG 1 4.536 -2.655 4.725 0.00 0.00 +0.026 C ATOM 22 C LIG 1 5.275 -0.158 4.699 0.00 0.00 +0.026 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 6 23 ATOM 23 C LIG 1 -1.541 0.447 -0.706 0.00 0.00 +0.031 C BRANCH 23 24 ATOM 24 C LIG 1 -2.972 0.874 -0.334 0.00 0.00 +0.030 C BRANCH 24 25 ATOM 25 C LIG 1 -4.270 1.263 0.114 0.00 0.00 -0.038 A ATOM 26 C LIG 1 -4.522 1.353 1.484 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.786 1.733 1.938 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.798 2.022 1.022 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.547 1.931 -0.348 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.282 1.552 -0.803 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 10