REMARK Name = BDB053758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.290 0.260 0.666 0.00 0.00 +0.125 A ATOM 2 C LIG 1 0.112 1.581 0.963 0.00 0.00 +0.105 A ATOM 3 C LIG 1 -1.013 2.314 1.333 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.862 3.640 1.771 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.422 4.176 1.748 0.00 0.00 +0.022 A ATOM 6 C LIG 1 1.472 3.384 1.322 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -2.111 1.460 1.240 0.00 0.00 -0.278 N ATOM 8 N LIG 1 1.367 2.101 0.930 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -1.669 0.194 0.838 0.00 0.00 +0.221 A ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 3.381 -1.355 -1.602 0.00 0.00 +0.080 C ATOM 11 N LIG 1 3.296 -0.290 -2.637 0.00 0.00 -0.310 NA ATOM 12 H LIG 1 4.216 0.153 -2.719 0.00 0.00 +0.122 HD ATOM 13 C LIG 1 2.273 0.722 -2.318 0.00 0.00 +0.100 C ATOM 14 C LIG 1 0.893 0.101 -2.016 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.014 -0.943 -0.996 0.00 0.00 -0.295 N ATOM 16 C LIG 1 0.595 -0.835 0.327 0.00 0.00 +0.254 C ATOM 17 O LIG 1 0.955 -1.627 1.197 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 1.984 -1.978 -1.347 0.00 0.00 +0.127 C BRANCH 10 19 ATOM 19 C LIG 1 4.009 -0.891 -0.273 0.00 0.00 +0.116 C BRANCH 19 23 ATOM 20 C LIG 1 7.421 0.183 0.935 0.00 0.00 +0.128 C ATOM 21 N LIG 1 6.025 -0.154 0.823 0.00 0.00 -0.318 N ATOM 22 H LIG 1 5.503 -0.351 1.668 0.00 0.00 +0.148 HD ATOM 23 C LIG 1 5.462 -0.483 -0.393 0.00 0.00 +0.214 C ATOM 24 O LIG 1 6.073 -0.429 -1.455 0.00 0.00 -0.276 OA ENDBRANCH 19 23 ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 7 25 ATOM 25 C LIG 1 -3.475 1.825 1.480 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -4.355 0.922 2.093 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -5.686 1.280 2.319 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -6.149 2.535 1.930 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.283 3.434 1.311 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -3.950 3.083 1.085 0.00 0.00 +0.026 A ENDBRANCH 7 25 BRANCH 9 31 ATOM 31 O LIG 1 -2.562 -0.792 0.654 0.00 0.00 -0.438 OA BRANCH 31 32 ATOM 32 C LIG 1 -2.319 -1.800 -0.250 0.00 0.00 +0.136 A ATOM 33 C LIG 1 -2.531 -1.574 -1.622 0.00 0.00 -0.008 A ATOM 34 C LIG 1 -3.017 -0.250 -2.138 0.00 0.00 +0.047 C ATOM 35 C LIG 1 -2.270 -2.615 -2.523 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -1.860 -3.865 -2.061 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -1.712 -4.093 -0.694 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -1.940 -3.065 0.230 0.00 0.00 -0.008 A ATOM 39 C LIG 1 -1.828 -3.352 1.700 0.00 0.00 +0.047 C ENDBRANCH 31 32 ENDBRANCH 9 31 TORSDOF 6