REMARK Name = BDB023708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.212 1.067 -1.239 0.00 0.00 +0.109 C ATOM 2 N LIG 1 -0.503 0.216 -0.425 0.00 0.00 -0.316 N ATOM 3 H LIG 1 0.060 -0.319 0.242 0.00 0.00 +0.148 HD ATOM 4 C LIG 1 -1.440 -0.525 -1.276 0.00 0.00 +0.134 C ATOM 5 C LIG 1 -0.900 -1.944 -1.493 0.00 0.00 +0.047 C ATOM 6 C LIG 1 -1.258 0.266 -2.608 0.00 0.00 +0.265 C ATOM 7 O LIG 1 -1.912 0.101 -3.628 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 -0.197 1.155 -2.476 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 2.808 -0.264 -0.230 0.00 0.00 +0.227 C ATOM 10 N LIG 1 2.605 0.888 -0.967 0.00 0.00 -0.289 N ATOM 11 C LIG 1 1.464 1.766 -0.711 0.00 0.00 +0.139 C ATOM 12 C LIG 1 1.800 3.067 -1.427 0.00 0.00 +0.062 C ATOM 13 C LIG 1 2.683 2.625 -2.593 0.00 0.00 +0.134 C ATOM 14 C LIG 1 3.447 1.422 -2.033 0.00 0.00 +0.139 C ATOM 15 O LIG 1 1.964 -0.627 0.595 0.00 0.00 -0.275 OA BRANCH 13 16 ATOM 16 O LIG 1 3.545 3.674 -3.007 0.00 0.00 -0.390 OA ATOM 17 H LIG 1 4.091 3.950 -2.250 0.00 0.00 +0.210 HD ENDBRANCH 13 16 BRANCH 9 18 ATOM 18 C LIG 1 4.097 -1.063 -0.484 0.00 0.00 +0.146 C BRANCH 18 23 ATOM 19 C LIG 1 7.556 1.541 2.255 0.00 0.00 +0.069 C ATOM 20 C LIG 1 6.778 0.789 1.246 0.00 0.00 +0.081 A ATOM 21 N LIG 1 7.310 0.520 0.048 0.00 0.00 -0.083 NA ATOM 22 O LIG 1 6.348 -0.192 -0.642 0.00 0.00 -0.359 OA ATOM 23 C LIG 1 5.241 -0.336 0.138 0.00 0.00 +0.150 A ATOM 24 C LIG 1 5.466 0.276 1.349 0.00 0.00 +0.071 A ENDBRANCH 18 23 BRANCH 18 25 ATOM 25 C LIG 1 3.982 -2.545 -0.030 0.00 0.00 +0.002 C ATOM 26 C LIG 1 5.043 -3.412 -0.721 0.00 0.00 +0.008 C ATOM 27 C LIG 1 4.054 -2.775 1.485 0.00 0.00 +0.008 C ENDBRANCH 18 25 ENDBRANCH 9 18 ENDBRANCH 1 11 BRANCH 4 28 ATOM 28 C LIG 1 -2.849 -0.407 -0.706 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -3.399 0.865 -0.446 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -4.689 1.009 0.073 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -5.465 -0.117 0.353 0.00 0.00 -0.001 A ATOM 32 C LIG 1 -4.938 -1.387 0.098 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -3.646 -1.529 -0.422 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 -6.830 0.030 0.885 0.00 0.00 +0.052 A ATOM 35 N LIG 1 -7.071 0.056 2.259 0.00 0.00 -0.311 N ATOM 36 C LIG 1 -5.969 -0.058 3.205 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -8.362 0.194 2.776 0.00 0.00 +0.251 A ATOM 38 O LIG 1 -8.646 0.223 3.971 0.00 0.00 -0.268 OA ATOM 39 C LIG 1 -9.463 0.312 1.782 0.00 0.00 +0.070 A ATOM 40 C LIG 1 -9.197 0.284 0.472 0.00 0.00 +0.007 A ATOM 41 C LIG 1 -7.843 0.139 0.008 0.00 0.00 +0.026 A ENDBRANCH 31 34 ENDBRANCH 4 28 TORSDOF 7