REMARK Name = BDB036724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.666 -0.118 1.251 0.00 0.00 +0.152 A ATOM 2 C LIG 1 1.294 -0.225 1.511 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.023 0.030 0.933 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -0.921 -0.478 2.018 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.192 -0.970 3.244 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -0.469 -2.450 3.516 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.460 -0.099 4.475 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.296 -0.422 1.976 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -2.812 0.029 0.785 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -2.322 -0.315 -0.025 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.013 -0.737 2.920 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 1.186 -0.768 2.753 0.00 0.00 +0.066 A ATOM 13 N LIG 1 2.435 -0.972 3.210 0.00 0.00 -0.277 N ATOM 14 H LIG 1 2.754 -1.355 4.094 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 3.359 -0.585 2.305 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 3.136 0.385 0.097 0.00 0.00 -0.267 N ATOM 17 H LIG 1 2.515 0.718 -0.623 0.00 0.00 +0.157 HD BRANCH 16 21 ATOM 18 C LIG 1 6.933 1.028 -1.419 0.00 0.00 +0.070 A ATOM 19 C LIG 1 5.761 1.335 -2.081 0.00 0.00 +0.139 A ATOM 20 N LIG 1 4.521 1.125 -1.585 0.00 0.00 -0.221 NA ATOM 21 C LIG 1 4.437 0.577 -0.359 0.00 0.00 +0.221 A ATOM 22 N LIG 1 5.516 0.242 0.360 0.00 0.00 -0.221 NA ATOM 23 C LIG 1 6.738 0.471 -0.176 0.00 0.00 +0.139 A BRANCH 18 25 ATOM 24 C LIG 1 9.415 1.074 -1.480 0.00 0.00 +0.241 C ATOM 25 N LIG 1 8.175 1.287 -2.036 0.00 0.00 -0.280 N ATOM 26 H LIG 1 8.146 1.709 -2.954 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 9.652 0.684 -0.344 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 10.573 1.297 -3.700 0.00 0.00 +0.013 C ATOM 29 C LIG 1 10.556 1.429 -2.366 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 30 ATOM 30 C LIG 1 -4.262 0.064 0.570 0.00 0.00 +0.092 C BRANCH 30 31 ATOM 31 C LIG 1 -4.608 1.198 -0.433 0.00 0.00 +0.015 C ATOM 32 C LIG 1 -4.029 1.040 -1.848 0.00 0.00 +0.033 C ATOM 33 C LIG 1 -4.423 2.230 -2.717 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -5.842 2.374 -2.765 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -6.402 2.621 -1.476 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -6.121 1.455 -0.534 0.00 0.00 +0.033 C ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.819 -1.356 0.250 0.00 0.00 +0.106 C BRANCH 37 38 ATOM 38 N LIG 1 -4.141 -2.029 -0.884 0.00 0.00 -0.307 NA ATOM 39 C LIG 1 -3.214 -3.064 -0.409 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -5.133 -2.655 -1.768 0.00 0.00 +0.104 C ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 9 30 TORSDOF 8