REMARK Name = BDB012853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.224 1.825 0.332 0.00 0.00 +0.264 C ATOM 2 N LIG 1 0.934 1.656 -0.413 0.00 0.00 -0.296 N ATOM 3 C LIG 1 1.339 0.459 -1.150 0.00 0.00 +0.118 C ATOM 4 C LIG 1 2.870 0.513 -1.205 0.00 0.00 +0.058 C ATOM 5 C LIG 1 3.154 2.018 -1.123 0.00 0.00 +0.030 C ATOM 6 C LIG 1 2.069 2.538 -0.191 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -0.285 2.685 1.208 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -3.146 -0.345 0.133 0.00 0.00 +0.066 A ATOM 9 N LIG 1 -2.795 -0.298 -1.158 0.00 0.00 -0.178 NA ATOM 10 N LIG 1 -1.740 0.531 -1.178 0.00 0.00 -0.272 N ATOM 11 H LIG 1 -1.347 0.780 -2.078 0.00 0.00 +0.189 HD ATOM 12 C LIG 1 -1.333 0.949 0.057 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -2.272 0.433 0.928 0.00 0.00 +0.057 A BRANCH 8 15 ATOM 14 C LIG 1 -5.636 -0.631 -0.025 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.333 -1.144 0.592 0.00 0.00 +0.033 C ATOM 16 C LIG 1 -4.155 -2.637 0.311 0.00 0.00 +0.014 C ENDBRANCH 8 15 ENDBRANCH 1 12 BRANCH 4 17 ATOM 17 C LIG 1 3.595 -0.257 -0.127 0.00 0.00 +0.068 A ATOM 18 N LIG 1 4.811 -0.738 -0.478 0.00 0.00 -0.154 NA ATOM 19 N LIG 1 5.568 -1.440 0.417 0.00 0.00 -0.157 NA ATOM 20 C LIG 1 5.098 -1.647 1.660 0.00 0.00 +0.135 A ATOM 21 C LIG 1 3.871 -1.172 2.070 0.00 0.00 +0.023 A ATOM 22 C LIG 1 3.103 -0.460 1.157 0.00 0.00 +0.027 A ENDBRANCH 4 17 TORSDOF 3