REMARK Name = BDB031860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.624 -2.477 -1.311 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.304 -3.510 -0.410 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.067 -3.476 0.245 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.139 -2.457 0.072 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.951 -2.802 0.935 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.763 -4.003 1.492 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.441 -1.441 -0.855 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.477 -4.347 1.117 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.858 -5.218 1.469 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.671 -1.471 -1.532 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.398 1.587 0.394 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.327 0.254 -0.040 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.825 -0.085 -1.290 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.939 -1.379 -2.046 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.925 -2.502 -2.079 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.654 -0.994 -3.323 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.868 0.371 -3.273 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.339 0.874 -4.010 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.971 -1.763 -4.214 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.240 -2.675 -1.347 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.396 0.922 -2.082 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.474 2.243 -1.694 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.963 2.574 -0.436 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.051 3.105 2.195 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.880 1.806 1.643 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.097 -2.110 1.105 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -2.951 -2.651 1.075 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.402 -0.745 1.074 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -1.502 0.260 1.419 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -1.988 1.542 1.289 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -3.235 1.843 0.878 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -4.049 0.815 0.604 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -3.672 -0.469 0.702 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -5.353 1.093 0.185 0.00 0.00 -0.298 N ATOM 35 C LIG 1 -6.098 2.281 0.512 0.00 0.00 +0.121 C ATOM 36 C LIG 1 -7.315 1.456 0.254 0.00 0.00 +0.049 C ATOM 37 C LIG 1 -8.538 1.621 1.082 0.00 0.00 +0.172 C ATOM 38 O LIG 1 -9.326 1.893 -0.116 0.00 0.00 -0.378 OA ATOM 39 C LIG 1 -8.146 1.711 -0.957 0.00 0.00 +0.172 C ATOM 40 C LIG 1 -6.485 0.219 0.346 0.00 0.00 +0.121 C ENDBRANCH 32 34 BRANCH 29 41 ATOM 41 O LIG 1 -0.278 -0.078 1.913 0.00 0.00 -0.490 OA ATOM 42 C LIG 1 0.680 0.958 2.076 0.00 0.00 +0.277 C ENDBRANCH 29 41 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6