REMARK Name = BDB031822 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.363 -2.381 0.952 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.122 -2.034 -0.391 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.022 -1.289 -0.697 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.949 -0.888 0.255 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.948 -0.166 -0.473 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.641 -0.111 -1.772 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.727 -1.251 1.597 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.498 -0.797 -1.879 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.084 -0.891 -2.798 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.421 -1.993 1.920 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.410 1.040 0.032 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.814 -0.039 0.701 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.359 -1.308 0.574 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.994 -2.652 1.136 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.588 -3.185 1.326 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.072 -3.573 0.613 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.912 -2.808 -0.177 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.721 -3.191 -0.640 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.162 -4.765 0.854 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.436 -2.803 2.522 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.511 -1.471 -0.208 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.127 -0.435 -0.877 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.561 0.838 -0.753 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.292 3.364 -0.476 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.780 2.240 0.228 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.017 0.387 0.146 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -3.137 0.227 1.138 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.208 0.907 -0.405 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -5.071 1.579 0.428 0.00 0.00 +0.182 A ATOM 30 O LIG 1 -4.947 1.768 1.778 0.00 0.00 -0.486 OA ATOM 31 C LIG 1 -5.970 2.756 2.062 0.00 0.00 +0.235 C ATOM 32 C LIG 1 -7.035 2.708 0.967 0.00 0.00 +0.100 C ATOM 33 C LIG 1 -6.211 2.109 -0.114 0.00 0.00 +0.091 A ATOM 34 N LIG 1 -6.554 2.028 -1.401 0.00 0.00 -0.233 NA ATOM 35 C LIG 1 -5.659 1.366 -2.164 0.00 0.00 +0.129 A ATOM 36 C LIG 1 -5.937 1.267 -3.631 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -4.506 0.812 -1.717 0.00 0.00 -0.214 NA ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 4