REMARK Name = BDB017474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.710 -1.794 -2.417 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.273 -2.967 -1.772 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.047 -2.944 -1.094 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.228 -1.824 -1.040 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.106 -2.225 -0.251 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.225 -3.499 0.151 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.643 -0.659 -1.709 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.387 -3.906 -0.382 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.680 -4.861 -0.216 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.870 -0.667 -2.390 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.682 1.050 0.659 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.550 -0.022 -0.232 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.126 0.075 -1.493 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.169 -0.850 -2.678 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.037 -1.745 -3.141 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.000 -0.102 -3.696 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.351 1.108 -3.125 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.913 1.794 -3.604 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.291 -0.513 -4.807 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.285 -2.338 -2.517 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.848 1.231 -1.828 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.013 2.296 -0.971 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.417 2.194 0.287 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.253 0.060 2.281 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.150 1.105 1.920 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.005 -1.377 0.079 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -2.058 -1.751 0.826 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -3.193 -0.877 1.148 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.032 0.470 1.477 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -4.144 1.258 1.802 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -5.444 0.730 1.824 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -5.587 -0.626 1.507 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -4.479 -1.421 1.179 0.00 0.00 +0.010 A BRANCH 31 34 ATOM 34 N LIG 1 -6.516 1.571 2.151 0.00 0.00 -0.327 N ATOM 35 C LIG 1 -7.761 0.991 2.696 0.00 0.00 +0.120 C ATOM 36 C LIG 1 -8.907 1.035 1.663 0.00 0.00 +0.100 C ATOM 37 N LIG 1 -9.253 2.386 1.178 0.00 0.00 -0.313 NA ATOM 38 H LIG 1 -10.028 2.758 1.725 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 -8.108 3.311 1.310 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -6.722 2.646 1.148 0.00 0.00 +0.120 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5