REMARK Name = BDB001467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.389 -2.535 0.454 0.00 0.00 -0.024 A ATOM 2 C LIG 1 2.111 -1.975 0.537 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.943 -2.772 0.387 0.00 0.00 +0.041 A ATOM 4 C LIG 1 1.076 -4.147 0.152 0.00 0.00 +0.076 A ATOM 5 N LIG 1 0.029 -4.958 -0.014 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 -1.181 -4.394 0.044 0.00 0.00 +0.223 A ATOM 7 N LIG 1 -1.440 -3.103 0.262 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 2.351 -4.691 0.087 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -0.381 -2.292 0.441 0.00 0.00 +0.134 A ATOM 10 C LIG 1 3.500 -3.907 0.238 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 5.628 -1.704 -0.183 0.00 0.00 -0.008 C ATOM 12 C LIG 1 4.564 -1.680 0.637 0.00 0.00 +0.005 C BRANCH 11 13 ATOM 13 C LIG 1 6.838 -0.847 0.004 0.00 0.00 +0.131 C BRANCH 13 15 ATOM 14 C LIG 1 7.800 1.159 -1.017 0.00 0.00 +0.239 C ATOM 15 N LIG 1 6.810 0.195 -0.991 0.00 0.00 -0.310 N ATOM 16 H LIG 1 6.176 0.110 -1.774 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 8.701 1.202 -0.184 0.00 0.00 -0.273 OA BRANCH 14 18 ATOM 18 C LIG 1 7.640 2.168 -2.170 0.00 0.00 +0.255 C BRANCH 18 20 ATOM 19 C LIG 1 8.773 4.105 -1.421 0.00 0.00 +0.194 C ATOM 20 O LIG 1 8.704 3.076 -2.400 0.00 0.00 -0.374 OA ENDBRANCH 18 20 ENDBRANCH 14 18 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 1 12 BRANCH 9 21 ATOM 21 N LIG 1 -0.597 -0.911 0.707 0.00 0.00 -0.299 N ATOM 22 H LIG 1 -0.131 -0.672 1.576 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.777 -0.153 0.524 0.00 0.00 +0.033 A ATOM 24 C LIG 1 -1.937 1.042 1.248 0.00 0.00 +0.030 A ATOM 25 C LIG 1 -3.054 1.875 1.061 0.00 0.00 -0.006 A ATOM 26 C LIG 1 -3.197 3.144 1.851 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -4.020 1.502 0.119 0.00 0.00 +0.132 A ATOM 28 C LIG 1 -3.847 0.352 -0.653 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -2.730 -0.464 -0.451 0.00 0.00 +0.027 A BRANCH 27 30 ATOM 30 O LIG 1 -5.094 2.341 -0.088 0.00 0.00 -0.454 OA BRANCH 30 31 ATOM 31 C LIG 1 -6.348 1.788 -0.004 0.00 0.00 +0.146 A ATOM 32 C LIG 1 -7.316 2.246 -0.886 0.00 0.00 +0.157 A ATOM 33 N LIG 1 -8.598 1.809 -0.900 0.00 0.00 -0.257 NA ATOM 34 C LIG 1 -8.943 0.879 0.023 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -10.362 0.394 0.012 0.00 0.00 +0.065 C ATOM 36 C LIG 1 -8.039 0.379 0.958 0.00 0.00 +0.026 A ATOM 37 C LIG 1 -6.726 0.848 0.950 0.00 0.00 +0.049 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 21 23 ENDBRANCH 9 21 TORSDOF 9