REMARK Name = BDB000341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.281 -0.520 0.205 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.994 -0.033 -0.096 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.183 -0.603 0.423 0.00 0.00 +0.034 A ATOM 4 N LIG 1 -1.448 -0.111 0.116 0.00 0.00 -0.322 N ATOM 5 C LIG 1 -2.659 -0.829 0.567 0.00 0.00 +0.104 C ATOM 6 C LIG 1 -2.425 -1.507 1.917 0.00 0.00 +0.032 C ATOM 7 C LIG 1 -1.216 -2.423 1.863 0.00 0.00 +0.039 C ATOM 8 C LIG 1 -0.022 -1.714 1.277 0.00 0.00 -0.026 A ATOM 9 C LIG 1 1.254 -2.228 1.566 0.00 0.00 +0.006 A ATOM 10 C LIG 1 2.395 -1.634 1.038 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 4.010 1.312 0.116 0.00 0.00 +0.056 A ATOM 12 C LIG 1 3.474 0.119 -0.366 0.00 0.00 +0.043 A ATOM 13 C LIG 1 4.158 -0.423 -1.456 0.00 0.00 +0.129 A ATOM 14 N LIG 1 5.247 0.136 -2.006 0.00 0.00 -0.199 NA ATOM 15 C LIG 1 5.662 1.285 -1.479 0.00 0.00 +0.214 A ATOM 16 N LIG 1 5.104 1.893 -0.433 0.00 0.00 -0.219 NA BRANCH 13 17 ATOM 17 N LIG 1 3.780 -1.645 -2.025 0.00 0.00 -0.343 N ATOM 18 H LIG 1 4.359 -1.797 -2.846 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 2.787 -1.676 -2.231 0.00 0.00 +0.144 HD ENDBRANCH 13 17 BRANCH 15 20 ATOM 20 N LIG 1 6.788 1.869 -2.023 0.00 0.00 -0.327 N ATOM 21 H LIG 1 7.352 1.157 -2.467 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 7.236 2.445 -1.325 0.00 0.00 +0.145 HD ENDBRANCH 15 20 BRANCH 11 24 ATOM 23 C LIG 1 4.063 1.532 2.616 0.00 0.00 +0.010 C ATOM 24 C LIG 1 3.450 2.034 1.318 0.00 0.00 +0.053 C ENDBRANCH 11 24 ENDBRANCH 1 12 BRANCH 5 25 ATOM 25 C LIG 1 -3.231 -1.777 -0.486 0.00 0.00 -0.027 A ATOM 26 C LIG 1 -2.440 -2.409 -1.458 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -3.007 -3.281 -2.390 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.376 -3.538 -2.364 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.178 -2.923 -1.408 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.611 -2.051 -0.476 0.00 0.00 +0.005 A ENDBRANCH 5 25 BRANCH 4 31 ATOM 31 C LIG 1 -1.677 1.045 -0.762 0.00 0.00 +0.108 C BRANCH 31 32 ATOM 32 C LIG 1 -1.425 2.377 -0.048 0.00 0.00 +0.047 C BRANCH 32 33 ATOM 33 C LIG 1 -2.423 2.673 1.071 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 O LIG 1 -3.778 2.660 0.620 0.00 0.00 -0.383 OA ATOM 35 C LIG 1 -4.160 3.855 -0.048 0.00 0.00 +0.193 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 9