REMARK Name = BDB031866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.990 2.013 -1.216 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.679 1.647 0.107 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.354 1.321 0.420 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.319 1.370 -0.503 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.847 0.962 0.219 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -0.544 0.667 1.486 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.615 1.775 -1.818 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.770 0.910 1.584 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.216 0.765 2.482 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.942 2.090 -2.150 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.501 -2.325 -0.636 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.346 -1.065 -1.224 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.361 -0.126 -1.081 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.521 1.296 -1.545 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.415 2.332 -1.609 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.893 1.691 -1.049 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.411 0.601 -0.372 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.324 0.608 0.054 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.421 2.776 -1.226 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.012 1.757 -2.879 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.525 -0.478 -0.381 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.720 -1.717 0.190 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.686 -2.645 0.055 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.275 -2.991 -1.139 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.575 -3.334 -0.669 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.063 0.890 -0.373 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -2.131 1.123 -1.361 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.348 0.553 0.123 0.00 0.00 +0.078 A ATOM 29 C LIG 1 -4.422 0.509 -0.791 0.00 0.00 +0.159 A ATOM 30 C LIG 1 -5.679 0.163 -0.310 0.00 0.00 +0.159 A ATOM 31 N LIG 1 -5.944 -0.140 0.981 0.00 0.00 -0.247 NA ATOM 32 C LIG 1 -4.894 -0.094 1.844 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -3.603 0.253 1.462 0.00 0.00 +0.060 A BRANCH 32 34 ATOM 34 C LIG 1 -5.170 -0.372 3.295 0.00 0.00 +0.265 C ATOM 35 N LIG 1 -6.146 -1.307 3.659 0.00 0.00 -0.302 N ATOM 36 C LIG 1 -6.821 -2.201 2.732 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -6.566 -1.379 5.047 0.00 0.00 +0.132 C ATOM 38 O LIG 1 -4.516 0.250 4.135 0.00 0.00 -0.268 OA ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 -4.112 0.818 -2.093 0.00 0.00 -0.492 OA ATOM 40 C LIG 1 -5.188 0.818 -3.024 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6