REMARK Name = BDB042877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.109 0.173 -1.412 0.00 0.00 +0.187 A ATOM 2 C LIG 1 -3.389 0.693 -1.672 0.00 0.00 +0.280 A ATOM 3 N LIG 1 -4.127 0.240 -2.711 0.00 0.00 -0.106 NA ATOM 4 N LIG 1 -3.643 -0.776 -3.458 0.00 0.00 -0.134 NA ATOM 5 C LIG 1 -2.438 -1.283 -3.143 0.00 0.00 +0.247 A ATOM 6 N LIG 1 -1.634 -0.850 -2.158 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 3.157 0.040 -0.642 0.00 0.00 -0.298 NA ATOM 8 C LIG 1 2.275 0.605 0.383 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.087 0.351 -0.597 0.00 0.00 +0.013 C ATOM 10 C LIG 1 -0.190 -0.179 0.052 0.00 0.00 +0.116 C ATOM 11 N LIG 1 -1.284 0.711 -0.393 0.00 0.00 -0.310 N ATOM 12 C LIG 1 -0.653 1.966 -0.849 0.00 0.00 +0.107 C ATOM 13 C LIG 1 0.672 1.536 -1.471 0.00 0.00 +0.030 C ATOM 14 C LIG 1 2.043 -0.689 -1.257 0.00 0.00 +0.094 C BRANCH 7 15 ATOM 15 C LIG 1 4.312 -0.723 -0.143 0.00 0.00 +0.060 C BRANCH 15 16 ATOM 16 C LIG 1 4.112 -2.224 0.285 0.00 0.00 -0.000 C ATOM 17 C LIG 1 3.166 -2.398 1.482 0.00 0.00 +0.009 C ATOM 18 C LIG 1 5.429 -2.926 0.649 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 5.376 -0.566 -1.274 0.00 0.00 +0.028 C BRANCH 19 20 ATOM 20 C LIG 1 6.803 -0.289 -0.788 0.00 0.00 +0.097 C BRANCH 20 24 ATOM 21 C LIG 1 8.693 2.571 0.798 0.00 0.00 +0.128 C ATOM 22 N LIG 1 8.313 1.341 0.152 0.00 0.00 -0.318 N ATOM 23 H LIG 1 8.967 0.569 0.162 0.00 0.00 +0.148 HD ATOM 24 C LIG 1 7.002 1.102 -0.209 0.00 0.00 +0.213 C ATOM 25 O LIG 1 6.107 1.925 -0.064 0.00 0.00 -0.276 OA ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -3.988 1.706 -0.961 0.00 0.00 -0.434 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.016 1.614 0.415 0.00 0.00 +0.138 A ATOM 28 C LIG 1 -4.465 0.490 1.144 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -4.435 0.567 2.550 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -4.006 1.724 3.193 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -3.996 1.768 4.532 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -3.606 2.838 2.471 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -3.620 2.786 1.080 0.00 0.00 +0.050 A BRANCH 28 34 ATOM 34 C LIG 1 -4.987 -0.736 0.524 0.00 0.00 +0.025 A ATOM 35 C LIG 1 -6.234 -0.822 -0.104 0.00 0.00 +0.055 A ATOM 36 N LIG 1 -6.669 -1.990 -0.645 0.00 0.00 -0.239 NA ATOM 37 C LIG 1 -5.859 -3.053 -0.562 0.00 0.00 +0.221 A ATOM 38 N LIG 1 -4.657 -3.084 0.023 0.00 0.00 -0.243 NA ATOM 39 C LIG 1 -4.253 -1.915 0.554 0.00 0.00 +0.123 A BRANCH 35 40 ATOM 40 C LIG 1 -7.158 0.377 -0.227 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -7.850 0.937 0.995 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -8.650 0.207 -0.040 0.00 0.00 +0.010 C ENDBRANCH 35 40 ENDBRANCH 28 34 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 10