REMARK Name = BDB022475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.503 -2.245 -1.450 0.00 0.00 +0.248 C ATOM 2 N LIG 1 1.545 -1.490 -0.941 0.00 0.00 -0.281 N ATOM 3 H LIG 1 1.299 -0.620 -0.489 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.586 -3.234 -2.166 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -3.447 -0.829 -0.490 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -3.154 -1.342 -1.756 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -1.866 -1.805 -2.055 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -0.854 -1.743 -1.095 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -1.141 -1.246 0.180 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.431 -0.790 0.476 0.00 0.00 +0.024 A BRANCH 5 12 ATOM 11 C LIG 1 -5.851 -0.264 -0.891 0.00 0.00 +0.241 C ATOM 12 N LIG 1 -4.717 -0.349 -0.106 0.00 0.00 -0.282 N ATOM 13 H LIG 1 -4.792 -0.031 0.850 0.00 0.00 +0.155 HD ATOM 14 O LIG 1 -5.959 -0.572 -2.070 0.00 0.00 -0.271 OA BRANCH 11 16 ATOM 15 C LIG 1 -8.199 0.456 -0.732 0.00 0.00 -0.007 C ATOM 16 C LIG 1 -7.014 0.280 -0.127 0.00 0.00 +0.064 C BRANCH 15 17 ATOM 17 C LIG 1 -9.499 0.978 -0.184 0.00 0.00 +0.111 C BRANCH 17 19 ATOM 18 C LIG 1 -8.880 2.584 1.567 0.00 0.00 +0.104 C ATOM 19 N LIG 1 -9.629 1.392 1.208 0.00 0.00 -0.305 NA ATOM 20 C LIG 1 -9.532 0.318 2.180 0.00 0.00 +0.104 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 11 16 ENDBRANCH 5 12 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 C LIG 1 2.928 -1.747 -1.065 0.00 0.00 +0.035 A ATOM 22 C LIG 1 3.811 -0.785 -0.547 0.00 0.00 +0.046 A ATOM 23 C LIG 1 5.210 -0.944 -0.611 0.00 0.00 +0.034 A ATOM 24 C LIG 1 5.702 -2.112 -1.195 0.00 0.00 +0.023 A ATOM 25 C LIG 1 4.835 -3.078 -1.713 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.453 -2.897 -1.648 0.00 0.00 +0.023 A BRANCH 23 27 ATOM 27 N LIG 1 6.031 0.063 -0.055 0.00 0.00 -0.297 N ATOM 28 H LIG 1 5.497 0.880 0.210 0.00 0.00 +0.154 HD BRANCH 27 29 ATOM 29 C LIG 1 7.377 0.139 0.122 0.00 0.00 +0.152 A ATOM 30 C LIG 1 7.998 1.319 0.649 0.00 0.00 +0.041 A ATOM 31 C LIG 1 9.356 1.026 0.695 0.00 0.00 +0.068 A ATOM 32 C LIG 1 10.323 1.926 1.154 0.00 0.00 +0.028 A ATOM 33 C LIG 1 9.874 3.178 1.584 0.00 0.00 +0.002 A ATOM 34 C LIG 1 8.520 3.507 1.553 0.00 0.00 +0.001 A ATOM 35 N LIG 1 9.456 -0.249 0.215 0.00 0.00 -0.275 N ATOM 36 H LIG 1 10.299 -0.799 0.101 0.00 0.00 +0.189 HD ATOM 37 C LIG 1 7.569 2.589 1.089 0.00 0.00 +0.013 A ATOM 38 N LIG 1 8.289 -0.804 -0.132 0.00 0.00 -0.158 NA ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 2 21 TORSDOF 8