REMARK Name = BDB010436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.527 -1.169 0.611 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.382 -0.651 0.011 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.708 -1.339 0.513 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.155 -2.244 1.396 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.857 -3.148 2.093 0.00 0.00 -0.208 NA ATOM 6 C LIG 1 -2.171 -3.111 1.835 0.00 0.00 +0.162 A ATOM 7 N LIG 1 -2.791 -2.263 0.990 0.00 0.00 -0.213 NA ATOM 8 C LIG 1 -2.085 -1.329 0.312 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.198 -2.134 1.457 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.272 -1.293 0.229 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.955 -1.691 0.497 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.918 -0.772 0.348 0.00 0.00 +0.106 A ATOM 13 N LIG 1 3.124 0.510 -0.024 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.402 0.885 -0.256 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.490 0.034 -0.152 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.348 -1.934 1.511 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.405 -2.299 0.356 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.181 -2.447 -0.958 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -3.032 -4.138 2.560 0.00 0.00 +0.179 C ATOM 20 C LIG 1 -3.288 -5.350 1.672 0.00 0.00 +0.046 C BRANCH 19 21 ATOM 21 O LIG 1 -2.410 -4.589 3.773 0.00 0.00 -0.384 OA ATOM 22 H LIG 1 -1.472 -4.327 3.693 0.00 0.00 +0.210 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.728 -0.422 -0.534 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.337 0.498 -0.410 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.196 -0.434 -0.558 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.683 -1.556 -1.478 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.686 0.952 -1.016 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.466 1.447 -2.479 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.781 2.242 -2.328 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -6.202 1.212 -1.254 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.343 0.293 -1.091 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -0.056 1.764 -0.794 0.00 0.00 +0.009 C ATOM 33 C LIG 1 0.872 2.733 -1.554 0.00 0.00 +0.005 C ATOM 34 C LIG 1 0.674 4.173 -1.086 0.00 0.00 +0.003 C ATOM 35 C LIG 1 1.041 4.360 0.398 0.00 0.00 -0.014 C ATOM 36 C LIG 1 0.223 5.501 1.007 0.00 0.00 +0.007 C ATOM 37 C LIG 1 0.885 3.068 1.213 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.242 2.182 0.687 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9