REMARK Name = BDB022182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.382 0.089 -0.315 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -0.528 -0.261 0.935 0.00 0.00 +0.171 C ATOM 3 C LIG 1 -1.071 -1.417 1.822 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -0.595 -1.635 2.941 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -1.962 -2.322 1.299 0.00 0.00 -0.269 N ATOM 6 H LIG 1 -2.217 -3.109 1.881 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 -2.458 -2.145 0.037 0.00 0.00 +0.127 A ATOM 8 N LIG 1 -3.284 -2.973 -0.665 0.00 0.00 -0.253 N ATOM 9 C LIG 1 -3.846 -4.234 -0.250 0.00 0.00 +0.174 C ATOM 10 N LIG 1 -3.575 -2.495 -1.893 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 -2.931 -1.320 -1.954 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -3.037 -0.469 -3.165 0.00 0.00 +0.068 C ATOM 13 C LIG 1 -2.222 -1.055 -0.758 0.00 0.00 +0.025 A ENDROOT BRANCH 1 16 ATOM 14 C LIG 1 -4.249 2.264 1.089 0.00 0.00 +0.120 A ATOM 15 C LIG 1 -3.402 1.173 0.862 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -2.341 1.246 -0.059 0.00 0.00 -0.034 A ATOM 17 C LIG 1 -2.135 2.460 -0.733 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.976 3.551 -0.510 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -4.032 3.454 0.397 0.00 0.00 +0.045 A BRANCH 14 21 ATOM 20 C LIG 1 -6.135 3.108 2.264 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -5.237 2.036 2.008 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 1 16 BRANCH 2 22 ATOM 22 N LIG 1 0.862 -0.644 0.614 0.00 0.00 -0.299 N ATOM 23 H LIG 1 1.268 -1.351 1.219 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 1.734 0.274 0.068 0.00 0.00 +0.245 C ATOM 25 O LIG 1 1.386 1.385 -0.315 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 3.164 -0.135 -0.011 0.00 0.00 +0.040 A ATOM 27 C LIG 1 4.141 0.869 -0.024 0.00 0.00 +0.062 A ATOM 28 C LIG 1 5.498 0.535 -0.100 0.00 0.00 +0.162 A ATOM 29 C LIG 1 5.880 -0.821 -0.170 0.00 0.00 +0.162 A ATOM 30 C LIG 1 4.898 -1.817 -0.173 0.00 0.00 +0.050 A ATOM 31 C LIG 1 3.544 -1.477 -0.097 0.00 0.00 +0.017 A BRANCH 28 32 ATOM 32 O LIG 1 6.521 1.451 -0.109 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.174 2.829 -0.094 0.00 0.00 +0.277 C ENDBRANCH 28 32 BRANCH 29 34 ATOM 34 O LIG 1 7.230 -1.063 -0.239 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 7.657 -2.416 -0.302 0.00 0.00 +0.277 C ENDBRANCH 29 34 ENDBRANCH 24 26 ENDBRANCH 2 22 TORSDOF 6