REMARK Name = BDB004916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.295 -1.046 1.972 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.250 -0.514 1.194 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.925 -1.237 0.979 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.048 -2.511 1.549 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.014 -3.054 2.314 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.155 -2.326 2.523 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.019 -0.763 0.224 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.795 -1.405 0.133 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.108 0.430 -0.469 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -1.233 1.276 -0.607 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.413 0.662 -1.140 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -4.621 0.320 -0.524 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -5.820 0.547 -1.189 0.00 0.00 +0.122 A ATOM 14 N LIG 1 -5.813 1.091 -2.427 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -4.638 1.444 -2.995 0.00 0.00 +0.113 A ATOM 16 C LIG 1 -3.416 1.256 -2.394 0.00 0.00 +0.033 A BRANCH 13 17 ATOM 17 N LIG 1 -7.030 0.215 -0.638 0.00 0.00 -0.315 N ATOM 18 C LIG 1 -7.257 -0.166 0.746 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -8.759 -0.426 0.797 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -9.312 0.591 -0.187 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -8.269 0.609 -1.305 0.00 0.00 +0.106 C ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 C LIG 1 2.570 -0.257 2.172 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 3.415 -0.430 0.998 0.00 0.00 -0.324 N ATOM 24 H LIG 1 3.512 -1.411 0.753 0.00 0.00 +0.148 HD BRANCH 23 28 ATOM 25 C LIG 1 7.727 0.576 -0.970 0.00 0.00 +0.066 A ATOM 26 C LIG 1 6.822 0.690 0.108 0.00 0.00 +0.088 A ATOM 27 C LIG 1 5.567 0.066 -0.027 0.00 0.00 +0.044 A ATOM 28 C LIG 1 4.683 0.177 1.066 0.00 0.00 +0.130 A ATOM 29 N LIG 1 4.997 0.873 2.170 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 6.202 1.437 2.198 0.00 0.00 +0.223 A ATOM 31 C LIG 1 5.240 -0.624 -1.220 0.00 0.00 +0.058 A ATOM 32 C LIG 1 6.149 -0.717 -2.258 0.00 0.00 +0.118 A ATOM 33 N LIG 1 7.128 1.371 1.235 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 7.391 -0.127 -2.144 0.00 0.00 +0.060 A BRANCH 25 38 ATOM 35 N LIG 1 9.489 1.887 0.136 0.00 0.00 -0.325 N ATOM 36 H LIG 1 10.405 2.310 0.147 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 8.862 2.015 0.926 0.00 0.00 +0.145 HD ATOM 38 C LIG 1 9.096 1.179 -0.960 0.00 0.00 +0.244 C ATOM 39 O LIG 1 9.861 1.048 -1.910 0.00 0.00 -0.270 OA ENDBRANCH 25 38 BRANCH 32 40 ATOM 40 O LIG 1 5.779 -1.399 -3.376 0.00 0.00 -0.507 OA ATOM 41 H LIG 1 6.495 -1.349 -4.032 0.00 0.00 +0.292 HD ENDBRANCH 32 40 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8