REMARK Name = BDB007017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.388 -1.018 0.716 0.00 0.00 +0.040 A ATOM 2 C LIG 1 2.092 -0.520 0.481 0.00 0.00 +0.036 A ATOM 3 C LIG 1 1.660 0.579 1.199 0.00 0.00 +0.059 A ATOM 4 N LIG 1 0.454 1.299 1.175 0.00 0.00 -0.268 N ATOM 5 C LIG 1 0.625 2.506 2.005 0.00 0.00 +0.126 C ATOM 6 C LIG 1 1.929 2.342 2.814 0.00 0.00 +0.025 C ATOM 7 C LIG 1 2.815 3.584 2.711 0.00 0.00 +0.019 C ATOM 8 C LIG 1 1.637 2.002 4.279 0.00 0.00 +0.019 C ATOM 9 C LIG 1 -0.737 1.116 0.491 0.00 0.00 +0.234 C ATOM 10 O LIG 1 -1.594 2.007 0.510 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 2.544 1.151 2.111 0.00 0.00 +0.070 A ATOM 12 N LIG 1 3.784 0.698 2.385 0.00 0.00 -0.257 NA ATOM 13 C LIG 1 4.174 -0.389 1.683 0.00 0.00 +0.120 A ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 3.916 -2.213 -0.031 0.00 0.00 +0.276 C ATOM 15 F LIG 1 3.031 -3.255 0.083 0.00 0.00 -0.200 F ATOM 16 F LIG 1 5.077 -2.697 0.499 0.00 0.00 -0.200 F BRANCH 14 17 ATOM 17 C LIG 1 4.123 -2.000 -1.539 0.00 0.00 +0.083 C BRANCH 17 19 ATOM 18 C LIG 1 6.554 -1.189 -1.389 0.00 0.00 +0.007 C ATOM 19 C LIG 1 5.181 -0.986 -2.024 0.00 0.00 -0.011 C ATOM 20 C LIG 1 4.735 0.470 -1.895 0.00 0.00 +0.007 C ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 14 BRANCH 9 21 ATOM 21 C LIG 1 -0.955 -0.214 -0.249 0.00 0.00 +0.181 C BRANCH 21 22 ATOM 22 N LIG 1 -2.356 -0.433 -0.678 0.00 0.00 -0.287 NA ATOM 23 C LIG 1 -3.286 -0.656 0.464 0.00 0.00 +0.088 C ATOM 24 C LIG 1 -3.124 -2.057 1.137 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -2.518 -3.120 0.314 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 -1.505 -3.059 0.394 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -2.878 -2.931 -1.102 0.00 0.00 +0.065 C ATOM 28 C LIG 1 -2.265 -4.057 -1.933 0.00 0.00 +0.025 C ATOM 29 C LIG 1 -2.450 -1.540 -1.659 0.00 0.00 +0.103 C BRANCH 23 30 ATOM 30 C LIG 1 -4.780 -0.429 0.069 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 N LIG 1 -5.025 0.832 -0.616 0.00 0.00 -0.300 N ATOM 32 C LIG 1 -5.324 0.948 -1.963 0.00 0.00 +0.216 C ATOM 33 O LIG 1 -5.496 0.040 -2.761 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 -5.469 2.418 -2.271 0.00 0.00 +0.097 C ATOM 35 C LIG 1 -4.768 3.085 -1.095 0.00 0.00 +0.028 C ATOM 36 C LIG 1 -4.968 2.109 0.047 0.00 0.00 +0.108 C ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 21 22 ENDBRANCH 9 21 TORSDOF 7