REMARK Name = BDB005146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.368 0.146 -0.455 0.00 0.00 +0.103 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 2.312 0.344 0.610 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.143 0.276 -0.163 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.132 0.247 0.432 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -0.213 0.283 1.831 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.943 0.355 2.607 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.200 0.386 1.998 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 4.813 0.362 0.461 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.541 0.376 -0.083 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.474 0.337 -1.091 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 5.108 0.247 1.645 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 8.056 0.583 -2.351 0.00 0.00 +0.120 A ATOM 13 C LIG 1 6.880 1.302 -2.586 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.815 1.247 -1.682 0.00 0.00 +0.016 A ATOM 15 C LIG 1 5.919 0.455 -0.534 0.00 0.00 +0.037 A ATOM 16 C LIG 1 7.102 -0.251 -0.287 0.00 0.00 +0.016 A ATOM 17 C LIG 1 8.165 -0.192 -1.195 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 10.242 0.039 -3.111 0.00 0.00 +0.277 C ATOM 19 O LIG 1 9.014 0.727 -3.316 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -2.575 0.703 0.180 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -3.420 0.364 -0.274 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.676 2.115 0.230 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.764 2.698 0.914 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -3.829 4.105 0.914 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.916 4.707 1.583 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.895 3.932 2.236 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.811 2.549 2.244 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -2.872 4.832 0.294 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -1.874 4.173 -0.306 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.751 1.938 1.589 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -1.737 2.852 -0.378 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -5.117 6.189 1.655 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -6.087 6.678 2.226 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -4.193 7.001 1.069 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -4.313 8.002 1.124 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -3.379 6.612 0.602 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.644 -1.314 -0.888 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -1.919 -2.285 0.272 0.00 0.00 +0.086 C BRANCH 38 39 ATOM 39 N LIG 1 -2.214 -3.650 -0.201 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -3.479 -3.729 -0.952 0.00 0.00 +0.084 C ATOM 41 C LIG 1 -4.162 -5.104 -0.900 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -3.138 -6.227 -0.833 0.00 0.00 +0.002 C ATOM 43 C LIG 1 -2.207 -6.047 0.367 0.00 0.00 +0.015 C ATOM 44 C LIG 1 -2.180 -4.612 0.905 0.00 0.00 +0.084 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 10