REMARK Name = BDB020703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.454 1.346 -0.893 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.423 0.316 -0.715 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.926 -1.090 -0.488 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.893 0.689 -0.712 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.187 2.082 -0.807 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.200 3.073 -0.921 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -0.804 4.319 -0.971 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -2.197 4.103 -0.904 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.399 2.748 -0.786 0.00 0.00 +0.092 A ATOM 10 C LIG 1 1.156 2.653 -0.981 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.098 5.583 -1.090 0.00 0.00 -0.016 A ATOM 12 C LIG 1 0.853 5.965 -0.135 0.00 0.00 +0.008 A ATOM 13 C LIG 1 1.517 7.188 -0.252 0.00 0.00 +0.001 A ATOM 14 C LIG 1 1.232 8.037 -1.320 0.00 0.00 +0.000 A ATOM 15 C LIG 1 0.281 7.668 -2.271 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -0.385 6.445 -2.155 0.00 0.00 +0.008 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 3.201 0.363 -2.192 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.450 0.083 -2.814 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.906 1.034 -1.033 0.00 0.00 +0.245 C ATOM 20 O LIG 1 3.728 1.369 -0.190 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.517 -0.163 -2.471 0.00 0.00 +0.145 C BRANCH 21 27 ATOM 22 C LIG 1 4.564 -4.356 -1.422 0.00 0.00 +0.195 A ATOM 23 N LIG 1 3.922 -3.882 -2.526 0.00 0.00 -0.293 N ATOM 24 H LIG 1 3.441 -4.545 -3.117 0.00 0.00 +0.172 HD ATOM 25 C LIG 1 3.863 -2.566 -2.892 0.00 0.00 +0.256 A ATOM 26 O LIG 1 3.238 -2.202 -3.885 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 4.582 -1.589 -2.007 0.00 0.00 +0.037 A ATOM 28 C LIG 1 5.222 -2.063 -0.914 0.00 0.00 -0.036 A ATOM 29 C LIG 1 5.978 -1.231 0.086 0.00 0.00 +0.044 C ATOM 30 C LIG 1 5.203 -3.491 -0.617 0.00 0.00 +0.069 A BRANCH 22 32 ATOM 31 C LIG 1 5.089 -6.311 -0.163 0.00 0.00 +0.278 C ATOM 32 O LIG 1 4.454 -5.712 -1.286 0.00 0.00 -0.481 OA ENDBRANCH 22 32 ENDBRANCH 21 27 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 33 ATOM 33 C LIG 1 -2.011 -0.370 -0.638 0.00 0.00 +0.101 C ATOM 34 C LIG 1 -3.208 -0.200 -1.593 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 -2.366 -0.751 0.742 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 -2.930 0.307 1.581 0.00 0.00 +0.086 C ATOM 37 C LIG 1 -3.473 -0.253 2.897 0.00 0.00 +0.034 C ATOM 38 C LIG 1 -4.669 -1.187 2.624 0.00 0.00 +0.058 C ATOM 39 C LIG 1 -4.490 -1.964 1.303 0.00 0.00 +0.034 C ATOM 40 C LIG 1 -3.027 -2.053 0.872 0.00 0.00 +0.086 C BRANCH 38 41 ATOM 41 N LIG 1 -5.005 -1.980 3.827 0.00 0.00 -0.305 NA ATOM 42 C LIG 1 -6.386 -2.467 3.792 0.00 0.00 +0.104 C ATOM 43 C LIG 1 -4.088 -3.085 4.101 0.00 0.00 +0.104 C ENDBRANCH 38 41 ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 8