REMARK Name = BDB015188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.891 -0.320 -0.392 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.888 -0.417 0.539 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -3.175 -0.544 0.001 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -4.314 -0.666 0.817 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -4.122 -0.644 2.208 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -2.845 -0.505 2.756 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -1.730 -0.392 1.923 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 -5.657 -0.830 0.243 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -6.124 0.040 -0.772 0.00 0.00 +0.096 A ATOM 10 C LIG 1 -7.404 -0.141 -1.297 0.00 0.00 +0.067 A ATOM 11 N LIG 1 -7.534 0.849 -2.239 0.00 0.00 -0.344 N ATOM 12 H LIG 1 -8.344 1.014 -2.818 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 -6.379 1.574 -2.254 0.00 0.00 +0.197 A ATOM 14 C LIG 1 -8.278 -1.145 -0.878 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -7.815 -2.001 0.122 0.00 0.00 +0.003 A ATOM 16 N LIG 1 -5.512 1.116 -1.384 0.00 0.00 -0.235 NA ATOM 17 C LIG 1 -6.538 -1.849 0.670 0.00 0.00 +0.011 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.471 -0.343 0.049 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 0.983 1.070 0.366 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 1.202 1.799 -0.855 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 2.057 1.466 -1.196 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 2.306 1.073 1.162 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 3.434 0.585 0.336 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 4.613 1.463 0.502 0.00 0.00 +0.120 C ATOM 25 C LIG 1 5.850 0.959 -0.210 0.00 0.00 -0.030 A ATOM 26 C LIG 1 5.978 -0.396 -0.562 0.00 0.00 -0.042 A ATOM 27 C LIG 1 7.145 -0.846 -1.194 0.00 0.00 +0.004 A ATOM 28 C LIG 1 8.191 0.040 -1.452 0.00 0.00 +0.000 A ATOM 29 C LIG 1 8.077 1.379 -1.087 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.834 -1.346 -0.318 0.00 0.00 +0.051 C ATOM 31 C LIG 1 6.914 1.837 -0.467 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.817 -0.794 0.690 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7