REMARK Name = BDB054697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.754 -1.074 0.044 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -2.964 -0.506 -0.099 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -3.970 -1.210 0.445 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -3.846 -2.415 1.107 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -5.142 -2.798 1.520 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -6.046 -1.822 1.107 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -2.560 -2.925 1.214 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -5.303 -0.853 0.439 0.00 0.00 -0.316 N ATOM 9 N LIG 1 -1.525 -2.244 0.675 0.00 0.00 -0.222 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -5.825 0.346 -0.204 0.00 0.00 +0.089 C ATOM 11 C LIG 1 -5.259 1.666 0.354 0.00 0.00 +0.025 C ATOM 12 C LIG 1 -4.662 2.399 -0.843 0.00 0.00 +0.002 C ATOM 13 C LIG 1 -5.450 1.877 -2.032 0.00 0.00 +0.002 C ATOM 14 C LIG 1 -5.604 0.394 -1.726 0.00 0.00 +0.025 C ENDBRANCH 8 10 BRANCH 1 15 ATOM 15 N LIG 1 -0.709 -0.340 -0.525 0.00 0.00 -0.282 N ATOM 16 H LIG 1 -1.120 0.490 -0.932 0.00 0.00 +0.155 HD BRANCH 15 21 ATOM 17 C LIG 1 2.803 -0.214 -1.106 0.00 0.00 +0.106 A ATOM 18 N LIG 1 2.651 -1.442 -0.496 0.00 0.00 -0.344 N ATOM 19 C LIG 1 3.701 -2.415 -0.282 0.00 0.00 +0.149 C ATOM 20 C LIG 1 1.337 -1.637 -0.158 0.00 0.00 +0.109 A ATOM 21 C LIG 1 0.616 -0.561 -0.613 0.00 0.00 +0.052 A ATOM 22 C LIG 1 1.530 0.322 -1.233 0.00 0.00 +0.055 A BRANCH 17 28 ATOM 23 C LIG 1 7.094 2.880 1.353 0.00 0.00 +0.105 C ATOM 24 N LIG 1 7.165 1.424 1.247 0.00 0.00 -0.302 NA ATOM 25 C LIG 1 5.918 0.780 1.705 0.00 0.00 +0.103 C ATOM 26 C LIG 1 4.716 0.929 0.752 0.00 0.00 +0.123 C ATOM 27 N LIG 1 5.048 0.572 -0.633 0.00 0.00 -0.294 N ATOM 28 C LIG 1 4.047 0.346 -1.587 0.00 0.00 +0.263 C ATOM 29 O LIG 1 4.219 0.599 -2.777 0.00 0.00 -0.268 OA ATOM 30 C LIG 1 6.299 1.148 -1.131 0.00 0.00 +0.123 C ATOM 31 C LIG 1 7.461 0.990 -0.134 0.00 0.00 +0.103 C ENDBRANCH 17 28 ENDBRANCH 15 21 ENDBRANCH 1 15 BRANCH 6 32 ATOM 32 C LIG 1 -7.472 -1.768 1.355 0.00 0.00 +0.354 C ATOM 33 O LIG 1 -8.133 -0.759 1.542 0.00 0.00 -0.243 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.032 -3.001 1.353 0.00 0.00 -0.476 OA ATOM 35 H LIG 1 -7.419 -3.702 1.069 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 6 32 TORSDOF 6