REMARK Name = BDB020756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.514 0.025 -0.906 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.419 -0.934 -0.295 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.295 -2.365 -0.758 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.336 -0.469 0.603 0.00 0.00 +0.044 A ATOM 5 N LIG 1 1.370 0.934 0.859 0.00 0.00 -0.318 N ATOM 6 C LIG 1 0.503 1.855 0.260 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.798 3.132 0.721 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.890 2.995 1.614 0.00 0.00 +0.030 A ATOM 9 C LIG 1 2.215 1.661 1.677 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.462 1.344 -0.653 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.110 4.353 0.322 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -1.227 4.284 0.105 0.00 0.00 -0.252 NA ATOM 13 C LIG 1 -1.828 5.447 -0.243 0.00 0.00 +0.134 A ATOM 14 C LIG 1 -1.142 6.650 -0.373 0.00 0.00 +0.056 A ATOM 15 C LIG 1 -1.865 7.904 -0.751 0.00 0.00 +0.067 C ATOM 16 N LIG 1 0.192 6.725 -0.151 0.00 0.00 -0.257 NA ATOM 17 C LIG 1 0.795 5.558 0.195 0.00 0.00 +0.139 A ENDBRANCH 7 11 BRANCH 1 20 ATOM 18 N LIG 1 -2.608 -1.089 -1.169 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -2.448 -1.383 -0.211 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -1.624 -0.384 -1.813 0.00 0.00 +0.245 C ATOM 21 O LIG 1 -1.633 -0.092 -3.002 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.680 -1.743 -1.885 0.00 0.00 +0.149 C BRANCH 22 24 ATOM 23 C LIG 1 -6.054 -1.044 -1.399 0.00 0.00 +0.132 A ATOM 24 C LIG 1 -4.927 -1.698 -1.063 0.00 0.00 +0.075 A ATOM 25 C LIG 1 -4.927 -2.471 0.214 0.00 0.00 +0.257 A ATOM 26 O LIG 1 -3.921 -3.046 0.622 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 -6.104 -2.492 0.922 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -6.084 -3.028 1.782 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -7.256 -1.846 0.540 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -8.451 -1.991 1.429 0.00 0.00 +0.063 C ATOM 31 C LIG 1 -7.253 -1.132 -0.595 0.00 0.00 +0.067 A BRANCH 23 33 ATOM 32 C LIG 1 -5.793 1.022 -2.407 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -6.198 -0.339 -2.574 0.00 0.00 -0.495 OA ENDBRANCH 23 33 ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 4 34 ATOM 34 C LIG 1 2.305 -1.398 1.356 0.00 0.00 +0.101 C ATOM 35 C LIG 1 1.853 -1.482 2.831 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 3.732 -1.045 1.182 0.00 0.00 -0.292 NA ATOM 37 C LIG 1 4.183 -1.093 -0.227 0.00 0.00 +0.100 C ATOM 38 C LIG 1 5.028 -2.332 -0.610 0.00 0.00 +0.100 C ATOM 39 N LIG 1 6.202 -2.579 0.253 0.00 0.00 -0.292 NA ATOM 40 C LIG 1 6.086 -1.857 1.535 0.00 0.00 +0.100 C ATOM 41 C LIG 1 4.632 -1.833 2.050 0.00 0.00 +0.100 C BRANCH 39 42 ATOM 42 C LIG 1 7.496 -2.272 -0.408 0.00 0.00 +0.198 C BRANCH 42 43 ATOM 43 C LIG 1 7.957 -3.190 -1.561 0.00 0.00 +0.402 C ATOM 44 F LIG 1 7.990 -4.489 -1.191 0.00 0.00 -0.169 F ATOM 45 F LIG 1 9.211 -2.850 -1.949 0.00 0.00 -0.169 F ATOM 46 F LIG 1 7.164 -3.084 -2.649 0.00 0.00 -0.169 F ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 34 36 ENDBRANCH 4 34 TORSDOF 9