REMARK Name = BDB020619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.170 -0.744 -0.354 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -2.715 -2.142 -0.302 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -3.804 -3.167 -0.111 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.380 -2.401 -0.439 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.510 -1.297 -0.674 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.944 0.025 -0.730 0.00 0.00 +0.048 A ATOM 7 C LIG 1 0.138 0.849 -0.953 0.00 0.00 +0.036 A ATOM 8 C LIG 1 1.289 0.031 -1.060 0.00 0.00 +0.001 A ATOM 9 C LIG 1 0.856 -1.273 -0.905 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -2.327 0.284 -0.557 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.672 0.404 -1.327 0.00 0.00 -0.016 A ATOM 12 C LIG 1 3.739 -0.338 -0.804 0.00 0.00 +0.009 A ATOM 13 C LIG 1 5.061 0.026 -1.074 0.00 0.00 +0.005 A ATOM 14 C LIG 1 5.348 1.150 -1.861 0.00 0.00 -0.033 A ATOM 15 C LIG 1 4.281 1.890 -2.387 0.00 0.00 +0.005 A ATOM 16 C LIG 1 2.958 1.523 -2.118 0.00 0.00 +0.009 A BRANCH 14 17 ATOM 17 C LIG 1 6.779 1.529 -2.188 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 7.674 1.516 -1.021 0.00 0.00 -0.294 NA ATOM 19 C LIG 1 9.086 1.558 -1.456 0.00 0.00 +0.113 C ATOM 20 C LIG 1 10.008 2.078 -0.344 0.00 0.00 +0.175 C ATOM 21 O LIG 1 9.728 3.440 0.007 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 8.352 3.798 -0.182 0.00 0.00 +0.175 C ATOM 23 C LIG 1 7.389 2.606 -0.061 0.00 0.00 +0.113 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 8 11 BRANCH 1 26 ATOM 24 N LIG 1 -4.851 0.144 1.090 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -4.085 0.288 1.738 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -4.598 -0.364 -0.159 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -5.434 -0.509 -1.042 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 C LIG 1 -6.138 0.683 1.463 0.00 0.00 +0.145 C BRANCH 28 35 ATOM 29 C LIG 1 -5.903 6.487 1.153 0.00 0.00 +0.063 C ATOM 30 C LIG 1 -6.010 4.994 1.142 0.00 0.00 +0.016 A ATOM 31 N LIG 1 -5.382 4.312 2.153 0.00 0.00 -0.326 N ATOM 32 H LIG 1 -4.865 4.817 2.863 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -5.377 2.947 2.282 0.00 0.00 +0.254 A ATOM 34 O LIG 1 -4.775 2.395 3.199 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -6.133 2.168 1.245 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -6.751 2.848 0.253 0.00 0.00 -0.039 A ATOM 37 C LIG 1 -7.540 2.232 -0.870 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -6.677 4.302 0.206 0.00 0.00 +0.024 A ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 26 BRANCH 4 39 ATOM 39 C LIG 1 -0.751 -3.804 -0.354 0.00 0.00 +0.101 C ATOM 40 C LIG 1 -0.986 -4.499 -1.710 0.00 0.00 +0.031 C BRANCH 39 41 ATOM 41 N LIG 1 -1.202 -4.591 0.824 0.00 0.00 -0.290 NA ATOM 42 C LIG 1 -0.920 -3.867 2.095 0.00 0.00 +0.113 C ATOM 43 C LIG 1 -0.834 -4.811 3.303 0.00 0.00 +0.175 C ATOM 44 O LIG 1 0.256 -5.736 3.197 0.00 0.00 -0.377 OA ATOM 45 C LIG 1 0.553 -6.096 1.841 0.00 0.00 +0.175 C ATOM 46 C LIG 1 -0.657 -5.965 0.902 0.00 0.00 +0.113 C ENDBRANCH 39 41 ENDBRANCH 4 39 TORSDOF 8