REMARK Name = BDB025436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.989 -1.761 2.818 0.00 0.00 +0.142 A ATOM 2 C LIG 1 0.299 -1.940 2.304 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.399 -2.881 2.619 0.00 0.00 +0.059 C ATOM 4 C LIG 1 2.371 -2.952 1.427 0.00 0.00 +0.113 C ATOM 5 N LIG 1 2.719 -1.620 0.888 0.00 0.00 -0.291 N ATOM 6 C LIG 1 1.603 -0.751 0.450 0.00 0.00 +0.164 C ATOM 7 C LIG 1 3.987 -1.502 0.307 0.00 0.00 +0.247 C ATOM 8 O LIG 1 4.811 -2.413 0.272 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.425 -0.986 1.320 0.00 0.00 +0.070 A ATOM 10 N LIG 1 -0.778 -0.309 1.260 0.00 0.00 -0.200 N ATOM 11 C LIG 1 -1.144 0.736 0.386 0.00 0.00 +0.255 C ATOM 12 O LIG 1 -0.307 1.155 -0.410 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -1.637 -0.774 2.212 0.00 0.00 -0.149 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -2.575 1.247 0.514 0.00 0.00 +0.113 C ATOM 15 C LIG 1 -3.481 0.629 -0.537 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -3.911 1.377 -1.647 0.00 0.00 +0.031 A ATOM 17 C LIG 1 -4.777 0.777 -2.572 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -5.166 -0.556 -2.439 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -4.719 -1.301 -1.355 0.00 0.00 +0.000 A ATOM 20 N LIG 1 -3.635 2.745 -1.775 0.00 0.00 -0.344 N ATOM 21 H LIG 1 -3.639 3.044 -2.747 0.00 0.00 +0.146 HD ATOM 22 C LIG 1 -2.495 3.249 -1.026 0.00 0.00 +0.102 C ATOM 23 C LIG 1 -3.888 -0.711 -0.404 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -2.571 2.783 0.421 0.00 0.00 +0.036 C ENDBRANCH 11 14 BRANCH 7 25 ATOM 25 C LIG 1 4.377 -0.211 -0.298 0.00 0.00 +0.037 A ATOM 26 C LIG 1 4.721 -0.174 -1.652 0.00 0.00 +0.013 A ATOM 27 C LIG 1 5.111 1.035 -2.229 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.170 2.193 -1.452 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.849 2.148 -0.094 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.459 0.943 0.490 0.00 0.00 +0.013 A ENDBRANCH 7 25 BRANCH 1 31 ATOM 31 N LIG 1 -1.517 -2.487 3.808 0.00 0.00 -0.341 N ATOM 32 H LIG 1 -2.360 -2.119 4.237 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 -0.917 -2.973 4.463 0.00 0.00 +0.144 HD ENDBRANCH 1 31 TORSDOF 3