REMARK Name = BDB031216 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.323 1.879 0.069 0.00 0.00 +0.147 A ATOM 2 N LIG 1 -1.571 1.503 -0.441 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -2.246 2.680 -0.756 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -1.360 3.697 -0.411 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -1.726 5.039 -0.595 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -2.994 5.334 -1.104 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -3.887 4.310 -1.410 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -3.538 2.966 -1.233 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.199 3.193 0.100 0.00 0.00 -0.227 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -2.070 0.176 -0.609 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -1.817 -0.798 0.373 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -2.311 -2.059 0.135 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -3.031 -2.376 -1.015 0.00 0.00 +0.067 A ATOM 14 N LIG 1 -3.381 -3.718 -0.945 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -3.898 -4.255 -1.622 0.00 0.00 +0.170 HD ATOM 16 C LIG 1 -2.883 -4.253 0.252 0.00 0.00 +0.325 A ATOM 17 O LIG 1 -3.004 -5.399 0.643 0.00 0.00 -0.247 OA ATOM 18 C LIG 1 -3.294 -1.447 -1.992 0.00 0.00 +0.030 A ATOM 19 N LIG 1 -2.222 -3.207 0.913 0.00 0.00 -0.306 N ATOM 20 H LIG 1 -1.757 -3.313 1.800 0.00 0.00 +0.170 HD ATOM 21 C LIG 1 -2.804 -0.152 -1.780 0.00 0.00 +0.028 A ENDBRANCH 2 10 BRANCH 1 29 ATOM 22 C LIG 1 2.328 -0.732 -0.233 0.00 0.00 +0.090 A ATOM 23 N LIG 1 2.821 -0.825 1.019 0.00 0.00 -0.245 NA ATOM 24 C LIG 1 2.326 -0.026 1.977 0.00 0.00 +0.072 A ATOM 25 C LIG 1 1.294 0.906 1.742 0.00 0.00 +0.011 A ATOM 26 C LIG 1 0.837 1.703 2.822 0.00 0.00 +0.011 A ATOM 27 C LIG 1 1.385 1.577 4.096 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.396 0.653 4.315 0.00 0.00 +0.002 A ATOM 29 C LIG 1 0.773 0.966 0.427 0.00 0.00 +0.029 A ATOM 30 C LIG 1 2.854 -0.134 3.257 0.00 0.00 +0.028 A ATOM 31 C LIG 1 1.316 0.148 -0.569 0.00 0.00 +0.042 A BRANCH 22 34 ATOM 32 C LIG 1 5.146 -2.102 -0.102 0.00 0.00 +0.150 C ATOM 33 N LIG 1 4.149 -2.254 -1.135 0.00 0.00 -0.332 N ATOM 34 C LIG 1 2.912 -1.645 -1.212 0.00 0.00 +0.087 A ATOM 35 C LIG 1 2.401 -2.118 -2.411 0.00 0.00 +0.140 A ATOM 36 N LIG 1 3.272 -2.964 -3.044 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 4.313 -3.029 -2.249 0.00 0.00 +0.199 A ENDBRANCH 22 34 ENDBRANCH 1 29 TORSDOF 3