REMARK Name = BDB056808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 -1.333 1.047 -1.098 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C UNK 1 0.229 1.142 -1.251 0.00 0.00 +0.043 C ATOM 3 C UNK 1 0.989 -0.012 -0.574 0.00 0.00 +0.114 C ATOM 4 N UNK 1 2.441 0.227 -0.546 0.00 0.00 -0.301 N ATOM 5 C UNK 1 3.314 -0.372 0.358 0.00 0.00 +0.216 C ATOM 6 O UNK 1 4.513 -0.090 0.389 0.00 0.00 -0.276 OA ATOM 7 C UNK 1 3.001 1.125 -1.552 0.00 0.00 +0.108 C ATOM 8 C UNK 1 2.230 1.038 -2.860 0.00 0.00 +0.019 C ATOM 9 C UNK 1 0.745 1.365 -2.688 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C UNK 1 2.711 -1.361 1.343 0.00 0.00 +0.097 C BRANCH 10 11 ATOM 11 C UNK 1 3.762 -2.220 2.051 0.00 0.00 +0.030 C BRANCH 11 12 ATOM 12 C UNK 1 4.530 -3.199 1.137 0.00 0.00 +0.077 C BRANCH 12 13 ATOM 13 N UNK 1 5.619 -3.802 1.929 0.00 0.00 -0.325 NA ATOM 14 H UNK 1 6.206 -3.049 2.293 0.00 0.00 +0.119 HD ATOM 15 H UNK 1 6.224 -4.334 1.305 0.00 0.00 +0.119 HD ENDBRANCH 12 13 BRANCH 12 16 ATOM 16 C UNK 1 3.642 -4.321 0.559 0.00 0.00 +0.174 C BRANCH 16 17 ATOM 17 O UNK 1 2.784 -3.831 -0.466 0.00 0.00 -0.393 OA ATOM 18 H UNK 1 2.307 -4.602 -0.820 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 20 ATOM 19 C UNK 1 -2.232 -1.450 -0.949 0.00 0.00 +0.023 A ATOM 20 C UNK 1 -1.930 -0.266 -1.690 0.00 0.00 -0.005 A ATOM 21 C UNK 1 -2.186 -0.306 -3.089 0.00 0.00 +0.007 A ATOM 22 C UNK 1 -2.693 -1.432 -3.743 0.00 0.00 +0.003 A ATOM 23 C UNK 1 -2.970 -2.573 -3.017 0.00 0.00 +0.039 A ATOM 24 C UNK 1 -2.743 -2.573 -1.648 0.00 0.00 +0.131 A ATOM 25 F UNK 1 -3.034 -3.704 -0.981 0.00 0.00 -0.205 F BRANCH 19 28 ATOM 26 C UNK 1 -0.983 -2.695 2.421 0.00 0.00 -0.047 A ATOM 27 C UNK 1 -1.079 -2.450 1.042 0.00 0.00 +0.012 A ATOM 28 C UNK 1 -2.087 -1.625 0.511 0.00 0.00 -0.015 A ATOM 29 C UNK 1 -3.025 -1.077 1.399 0.00 0.00 +0.008 A ATOM 30 C UNK 1 -2.932 -1.300 2.774 0.00 0.00 +0.001 A ATOM 31 C UNK 1 -1.914 -2.104 3.282 0.00 0.00 +0.003 A BRANCH 26 33 ATOM 32 C UNK 1 -0.465 -5.008 3.248 0.00 0.00 +0.009 C ATOM 33 C UNK 1 0.079 -3.616 2.964 0.00 0.00 +0.032 C ENDBRANCH 26 33 ENDBRANCH 19 28 ENDBRANCH 1 20 BRANCH 1 34 ATOM 34 O UNK 1 -1.635 1.111 0.297 0.00 0.00 -0.384 OA ATOM 35 H UNK 1 -1.070 1.770 0.733 0.00 0.00 +0.211 HD ENDBRANCH 1 34 BRANCH 1 36 ATOM 36 C UNK 1 -2.056 2.301 -1.700 0.00 0.00 +0.041 C BRANCH 36 37 ATOM 37 C UNK 1 -1.708 3.651 -1.050 0.00 0.00 +0.022 C BRANCH 37 38 ATOM 38 C UNK 1 -2.503 4.789 -1.692 0.00 0.00 +0.107 C BRANCH 38 39 ATOM 39 N UNK 1 -2.128 6.071 -1.147 0.00 0.00 -0.281 N ATOM 40 H UNK 1 -1.407 6.630 -1.581 0.00 0.00 +0.152 HD ATOM 41 C UNK 1 -2.625 6.551 0.027 0.00 0.00 +0.400 C ATOM 42 O UNK 1 -3.454 5.992 0.727 0.00 0.00 -0.226 OA BRANCH 41 43 ATOM 43 O UNK 1 -2.042 7.744 0.296 0.00 0.00 -0.454 OA ATOM 44 C UNK 1 -2.490 8.343 1.513 0.00 0.00 +0.282 C ENDBRANCH 41 43 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 16