REMARK Name = BDB015088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.289 -0.830 -2.123 0.00 0.00 -0.325 N ATOM 2 H LIG 1 -1.192 -0.358 -2.212 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.562 1.088 -0.962 0.00 0.00 +0.091 A ATOM 4 N LIG 1 1.609 0.116 -1.002 0.00 0.00 -0.229 NA ATOM 5 C LIG 1 0.704 0.162 -2.003 0.00 0.00 +0.138 A ATOM 6 C LIG 1 0.781 1.173 -2.965 0.00 0.00 +0.154 A ATOM 7 N LIG 1 1.708 2.162 -2.952 0.00 0.00 -0.258 NA ATOM 8 C LIG 1 2.587 2.093 -1.927 0.00 0.00 +0.139 A BRANCH 3 15 ATOM 9 C LIG 1 7.982 2.065 0.266 0.00 0.00 +0.150 C ATOM 10 N LIG 1 7.075 1.560 1.265 0.00 0.00 -0.333 N ATOM 11 C LIG 1 5.742 1.286 1.085 0.00 0.00 +0.069 A ATOM 12 C LIG 1 5.326 0.822 2.329 0.00 0.00 +0.089 A ATOM 13 C LIG 1 3.993 0.433 2.503 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.116 0.527 1.411 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.529 1.005 0.151 0.00 0.00 +0.004 A ATOM 16 N LIG 1 6.362 0.823 3.230 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 4.878 1.389 -0.016 0.00 0.00 +0.038 A ATOM 18 C LIG 1 7.399 1.271 2.559 0.00 0.00 +0.200 A ENDBRANCH 3 15 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.346 -1.754 -0.987 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 -1.325 -2.919 -1.246 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -1.454 -3.740 -0.074 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -0.558 -4.027 0.175 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -2.731 -2.487 -1.734 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -3.340 -1.330 -1.042 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -3.655 -1.663 0.367 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -4.468 -0.599 1.080 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -5.206 0.355 0.359 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -5.968 1.310 1.043 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.021 1.302 2.437 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.308 0.345 3.155 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.122 0.386 -1.145 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -4.538 -0.603 2.481 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.581 -0.926 -1.727 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7