REMARK Name = BDB061353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.890 -0.469 -1.206 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.057 0.652 -1.137 0.00 0.00 +0.027 A ATOM 3 C LIG 1 2.691 0.460 -0.992 0.00 0.00 -0.038 A ATOM 4 C LIG 1 1.627 1.511 -0.879 0.00 0.00 +0.040 C ATOM 5 C LIG 1 0.364 0.693 -1.191 0.00 0.00 +0.067 C ATOM 6 C LIG 1 0.654 -0.733 -0.706 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.178 -0.994 0.703 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.592 -0.487 1.735 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.785 -1.942 0.610 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.856 -2.413 -0.653 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -1.512 -3.369 -1.034 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 -0.052 -1.693 -1.484 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.141 -0.823 -0.893 0.00 0.00 +0.008 A ATOM 14 C LIG 1 2.950 -1.944 -0.964 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.327 -1.760 -1.128 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 9.362 1.492 -1.665 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.380 0.435 -1.647 0.00 0.00 -0.302 N ATOM 18 H LIG 1 8.461 -0.257 -2.378 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.077 0.736 -1.291 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.286 -0.388 -1.379 0.00 0.00 -0.269 N ATOM 21 H LIG 1 6.791 -1.260 -1.402 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 6.732 1.855 -0.938 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.444 -2.572 1.733 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.937 -2.232 1.822 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.330 -0.910 1.522 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -4.762 -0.758 1.194 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -5.245 0.696 1.060 0.00 0.00 +0.027 C ATOM 28 C LIG 1 -4.379 1.591 0.179 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -3.086 2.066 0.784 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -2.361 1.397 1.779 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -1.190 2.012 2.261 0.00 0.00 +0.025 A ATOM 32 C LIG 1 -0.758 3.205 1.709 0.00 0.00 +0.111 A ATOM 33 N LIG 1 -1.406 3.836 0.717 0.00 0.00 -0.263 NA ATOM 34 C LIG 1 -2.549 3.260 0.287 0.00 0.00 +0.114 A ATOM 35 C LIG 1 -2.782 0.102 2.428 0.00 0.00 +0.143 C ATOM 36 O LIG 1 -3.733 -3.074 2.246 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -5.137 -1.651 0.017 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -5.775 -1.194 -1.279 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -4.347 -1.658 -1.274 0.00 0.00 +0.006 C ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4