REMARK Name = BDB021612 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.266 -3.382 0.801 0.00 0.00 +0.057 C ATOM 2 C LIG 1 0.591 -1.895 0.582 0.00 0.00 +0.121 C ATOM 3 O LIG 1 -0.422 -1.111 1.244 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 -1.553 -0.851 0.530 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.573 -0.018 -0.592 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -2.792 0.286 -1.217 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -3.984 -0.237 -0.717 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.958 -1.036 0.430 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -0.346 0.587 -1.157 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.380 1.756 -1.532 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.788 -0.206 -1.291 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -2.747 -1.350 1.051 0.00 0.00 +0.059 A ATOM 13 C LIG 1 0.767 -1.625 -0.935 0.00 0.00 +0.155 C ATOM 14 C LIG 1 1.894 -1.571 1.330 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -5.212 -1.591 0.976 0.00 0.00 +0.247 C ATOM 16 N LIG 1 -6.246 -0.712 1.291 0.00 0.00 -0.290 N ATOM 17 C LIG 1 -7.490 -1.324 1.755 0.00 0.00 +0.161 C ATOM 18 C LIG 1 -8.614 -0.338 1.758 0.00 0.00 +0.036 A ATOM 19 N LIG 1 -8.429 1.001 1.513 0.00 0.00 -0.348 N ATOM 20 C LIG 1 -9.615 1.672 1.602 0.00 0.00 +0.086 A ATOM 21 C LIG 1 -10.588 0.752 1.918 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -7.138 1.583 1.201 0.00 0.00 +0.140 C ATOM 23 C LIG 1 -9.959 -0.515 2.014 0.00 0.00 +0.024 A ATOM 24 C LIG 1 -6.021 0.679 1.706 0.00 0.00 +0.130 C ATOM 25 O LIG 1 -5.288 -2.812 1.094 0.00 0.00 -0.270 OA ENDBRANCH 8 15 BRANCH 11 26 ATOM 26 C LIG 1 1.941 0.321 -2.043 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 2.845 1.237 -1.190 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 2.209 2.500 -0.909 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 1.246 2.399 -1.083 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 4.182 1.549 -1.903 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 4.980 0.371 -2.300 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 5.580 -0.336 -1.153 0.00 0.00 +0.120 C ATOM 33 C LIG 1 6.792 0.332 -0.545 0.00 0.00 -0.030 A ATOM 34 C LIG 1 7.561 1.248 -1.285 0.00 0.00 -0.042 A ATOM 35 C LIG 1 8.700 1.826 -0.708 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.087 1.478 0.585 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.339 0.556 1.313 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.126 1.662 -2.666 0.00 0.00 +0.051 C ATOM 39 C LIG 1 7.199 -0.017 0.751 0.00 0.00 +0.005 A ATOM 40 C LIG 1 6.050 0.734 -3.248 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 11 26 TORSDOF 6