REMARK Name = BDB028087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.439 -0.303 1.138 0.00 0.00 +0.059 A ATOM 2 N LIG 1 3.565 -1.639 0.854 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 2.485 -2.367 0.461 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.266 -1.739 0.334 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.052 -2.278 -0.086 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.930 -1.115 -0.026 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.230 0.023 0.390 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -0.594 1.171 0.565 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.160 -0.388 0.614 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.232 0.371 1.019 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.311 -1.192 -0.355 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.155 -0.074 -0.269 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.534 -0.108 -0.590 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.044 -1.350 -1.002 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.235 -2.480 -1.095 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.880 -2.400 -0.777 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.454 1.200 -0.474 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -4.831 2.540 -0.969 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.091 2.906 -1.602 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -6.454 1.497 -1.628 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.034 1.360 0.947 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -7.232 0.507 1.202 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.508 0.977 1.389 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -8.953 2.345 1.389 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -9.294 -0.118 1.570 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.558 -1.201 1.502 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.260 -0.808 1.282 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.668 -3.832 0.153 0.00 0.00 +0.038 C ATOM 29 C LIG 1 3.538 -4.687 1.046 0.00 0.00 +0.010 C ATOM 30 C LIG 1 2.051 -4.879 1.054 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 4.697 0.479 1.538 0.00 0.00 +0.102 C ATOM 32 C LIG 1 5.761 -0.430 2.177 0.00 0.00 +0.031 C BRANCH 31 36 ATOM 33 C LIG 1 6.508 0.809 -3.120 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.556 1.343 -1.690 0.00 0.00 +0.000 C ATOM 35 C LIG 1 5.536 0.608 -0.793 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.192 1.339 0.438 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 6.224 2.286 0.846 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.380 3.382 -0.214 0.00 0.00 +0.016 C ATOM 39 C LIG 1 6.314 2.852 -1.650 0.00 0.00 +0.006 C ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 7