REMARK Name = BDB031902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.740 -2.663 -0.307 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.594 -1.701 -1.325 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.415 -0.948 -1.372 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.363 -1.123 -0.484 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.626 -0.165 -0.879 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.196 0.558 -1.916 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.485 -2.111 0.511 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.011 0.058 -2.203 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.519 0.459 -2.982 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.669 -2.863 0.580 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.371 0.971 0.856 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.863 -0.334 0.875 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.599 -1.352 0.283 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.356 -2.825 0.100 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.015 -3.470 -0.192 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.596 -3.315 -0.613 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.413 -2.216 -0.810 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.310 -2.278 -1.265 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.809 -4.469 -0.944 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.686 -3.656 1.155 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.845 -1.052 -0.289 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.386 0.215 -0.304 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.629 1.233 0.279 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.374 1.918 1.730 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.744 2.073 1.373 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.802 -0.048 -0.222 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -2.016 -0.707 0.517 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.955 0.704 -0.546 0.00 0.00 +0.187 A ATOM 29 C LIG 1 -4.020 0.744 0.385 0.00 0.00 +0.257 A ATOM 30 N LIG 1 -5.170 1.439 0.203 0.00 0.00 -0.204 NA ATOM 31 C LIG 1 -5.236 2.133 -0.962 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -4.192 2.131 -1.877 0.00 0.00 +0.146 A ATOM 33 N LIG 1 -3.054 1.414 -1.693 0.00 0.00 -0.233 NA BRANCH 31 34 ATOM 34 C LIG 1 -6.434 2.978 -1.243 0.00 0.00 +0.266 C ATOM 35 N LIG 1 -7.680 2.659 -0.691 0.00 0.00 -0.302 N ATOM 36 C LIG 1 -7.994 1.410 -0.015 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -8.758 3.628 -0.786 0.00 0.00 +0.132 C ATOM 38 O LIG 1 -6.275 3.961 -1.970 0.00 0.00 -0.268 OA ENDBRANCH 31 34 BRANCH 29 39 ATOM 39 O LIG 1 -3.865 -0.015 1.539 0.00 0.00 -0.477 OA ATOM 40 C LIG 1 -4.919 0.173 2.478 0.00 0.00 +0.279 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6