REMARK Name = BDB037782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.194 2.375 -1.712 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.662 1.352 -1.271 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.521 0.025 -1.646 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.654 -0.647 -1.134 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.386 0.184 -0.377 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.635 -0.444 -2.478 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.825 0.508 -2.176 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.755 1.380 -0.431 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.381 1.972 -2.377 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.092 2.760 -3.006 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.068 -2.038 -1.359 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.160 -2.845 -0.236 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -1.809 -2.506 1.113 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -1.682 -3.790 1.890 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -1.942 -4.924 0.928 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -0.495 -2.879 1.728 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -2.526 -4.263 -0.345 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.290 -2.472 -2.488 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.993 -4.438 -0.399 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -5.143 -4.602 -0.415 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.217 2.358 0.550 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.193 3.384 -0.031 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.579 4.411 1.020 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -2.412 4.969 1.620 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -1.677 4.001 2.366 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -1.108 2.944 1.434 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.328 0.390 -0.796 0.00 0.00 -0.299 N ATOM 28 H LIG 1 1.842 0.922 -0.087 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.432 -0.357 -0.466 0.00 0.00 +0.245 C ATOM 30 O LIG 1 4.150 -0.917 -1.283 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 3.732 -0.464 0.988 0.00 0.00 +0.039 A ATOM 32 C LIG 1 2.695 -0.447 1.939 0.00 0.00 +0.044 A ATOM 33 C LIG 1 3.043 -0.573 3.289 0.00 0.00 +0.110 A ATOM 34 C LIG 1 4.378 -0.715 3.635 0.00 0.00 +0.155 A ATOM 35 O LIG 1 4.446 -0.819 4.994 0.00 0.00 -0.442 OA ATOM 36 C LIG 1 3.143 -0.736 5.387 0.00 0.00 +0.309 A ATOM 37 C LIG 1 5.431 -0.750 2.730 0.00 0.00 +0.049 A ATOM 38 N LIG 1 2.264 -0.590 4.418 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 5.073 -0.626 1.381 0.00 0.00 +0.017 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 1.042 -1.891 -2.283 0.00 0.00 -0.001 C ATOM 41 C LIG 1 2.018 -2.531 -3.244 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.586 -2.970 -3.237 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -0.981 3.993 -3.170 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.181 3.776 -1.893 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7