REMARK Name = BDB031870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.101 -1.319 -1.293 0.00 0.00 +0.154 A ATOM 2 C LIG 1 1.232 -0.456 -1.456 0.00 0.00 +0.041 A ATOM 3 C LIG 1 2.318 -1.304 -1.620 0.00 0.00 +0.068 A ATOM 4 C LIG 1 3.631 -0.848 -1.794 0.00 0.00 +0.031 A ATOM 5 C LIG 1 3.869 0.539 -1.781 0.00 0.00 -0.041 A ATOM 6 C LIG 1 2.769 1.404 -1.648 0.00 0.00 +0.005 A ATOM 7 N LIG 1 1.791 -2.563 -1.571 0.00 0.00 -0.275 N ATOM 8 H LIG 1 2.281 -3.444 -1.667 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 1.457 0.933 -1.481 0.00 0.00 +0.014 A ATOM 10 N LIG 1 0.472 -2.601 -1.361 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.269 1.098 -1.918 0.00 0.00 +0.040 C ATOM 12 C LIG 1 5.942 1.845 -0.782 0.00 0.00 +0.081 C ATOM 13 C LIG 1 5.330 2.119 0.565 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.748 3.396 0.970 0.00 0.00 +0.038 A ATOM 15 C LIG 1 5.369 3.973 2.162 0.00 0.00 +0.027 A ATOM 16 C LIG 1 4.522 3.229 2.985 0.00 0.00 +0.047 A ATOM 17 C LIG 1 4.080 1.944 2.611 0.00 0.00 +0.120 A ATOM 18 N LIG 1 6.581 3.947 -0.006 0.00 0.00 -0.284 N ATOM 19 H LIG 1 7.026 4.850 0.044 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 4.501 1.381 1.401 0.00 0.00 +0.052 A ATOM 21 C LIG 1 6.755 3.085 -1.075 0.00 0.00 +0.228 C ATOM 22 O LIG 1 7.428 3.267 -2.074 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 6.432 0.480 -1.168 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 3.243 1.347 3.516 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 2.632 0.126 3.112 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 -1.144 -0.825 -1.108 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.281 0.178 -1.090 0.00 0.00 +0.155 HD BRANCH 26 29 ATOM 28 C LIG 1 -3.533 -0.684 -0.765 0.00 0.00 +0.161 A ATOM 29 C LIG 1 -2.357 -1.475 -0.774 0.00 0.00 +0.166 A ATOM 30 N LIG 1 -2.393 -2.799 -0.501 0.00 0.00 -0.236 NA ATOM 31 C LIG 1 -3.588 -3.365 -0.216 0.00 0.00 +0.126 A ATOM 32 C LIG 1 -4.770 -2.651 -0.151 0.00 0.00 +0.059 A ATOM 33 C LIG 1 -4.750 -1.289 -0.453 0.00 0.00 +0.063 A BRANCH 32 34 ATOM 34 C LIG 1 -6.022 -3.358 0.167 0.00 0.00 +0.248 C ATOM 35 N LIG 1 -6.868 -2.834 1.146 0.00 0.00 -0.304 N ATOM 36 C LIG 1 -6.417 -1.987 2.244 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -8.154 -3.482 1.338 0.00 0.00 +0.132 C ATOM 38 O LIG 1 -6.277 -4.373 -0.476 0.00 0.00 -0.270 OA ENDBRANCH 32 34 BRANCH 28 39 ATOM 39 O LIG 1 -3.357 0.648 -1.060 0.00 0.00 -0.489 OA BRANCH 39 41 ATOM 40 C LIG 1 -5.133 1.389 -2.547 0.00 0.00 +0.048 C ATOM 41 C LIG 1 -4.501 1.495 -1.169 0.00 0.00 +0.226 C ENDBRANCH 39 41 ENDBRANCH 28 39 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 7