REMARK Name = BDB003334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.170 0.155 1.548 0.00 0.00 -0.284 N ATOM 2 C LIG 1 -0.806 0.088 1.209 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.192 0.042 2.191 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.544 -0.071 1.827 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.963 -0.096 0.481 0.00 0.00 -0.035 A ATOM 6 C LIG 1 0.974 0.025 -0.517 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.172 0.086 3.651 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.496 0.809 3.840 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.384 0.108 -0.130 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -2.559 0.161 2.965 0.00 0.00 +0.113 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.266 0.771 -0.163 0.00 0.00 +0.128 A ATOM 12 N LIG 1 -4.199 0.922 0.651 0.00 0.00 -0.226 NA ATOM 13 C LIG 1 -3.291 -0.080 0.716 0.00 0.00 +0.134 A ATOM 14 C LIG 1 -3.461 -1.301 0.005 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -4.589 -1.412 -0.833 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -4.771 -2.601 -1.543 0.00 0.00 +0.119 A ATOM 17 N LIG 1 -3.946 -3.668 -1.478 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 -2.884 -3.557 -0.658 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -2.610 -2.425 0.092 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -5.499 -0.357 -0.928 0.00 0.00 +0.043 A BRANCH 11 24 ATOM 21 C LIG 1 -7.414 3.505 -1.643 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -6.607 2.321 -1.478 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -6.029 2.036 -2.258 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -6.229 1.914 -0.207 0.00 0.00 +0.262 C ATOM 25 O LIG 1 -6.637 2.439 0.823 0.00 0.00 -0.269 OA ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 3.462 -0.216 0.230 0.00 0.00 +0.022 C ATOM 27 C LIG 1 3.878 -1.422 -0.622 0.00 0.00 +0.027 C ATOM 28 C LIG 1 5.402 -1.522 -0.672 0.00 0.00 +0.108 C ATOM 29 N LIG 1 6.050 -0.247 -0.975 0.00 0.00 -0.302 N ATOM 30 C LIG 1 7.425 -0.115 -1.135 0.00 0.00 +0.212 C ATOM 31 O LIG 1 7.959 0.929 -1.509 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 8.266 -1.328 -0.821 0.00 0.00 +0.109 C ATOM 33 C LIG 1 5.190 0.884 -1.308 0.00 0.00 +0.108 C ATOM 34 C LIG 1 4.099 1.100 -0.259 0.00 0.00 +0.027 C ENDBRANCH 5 26 BRANCH 6 35 ATOM 35 C LIG 1 1.258 0.033 -2.001 0.00 0.00 +0.372 C ATOM 36 F LIG 1 0.285 0.649 -2.735 0.00 0.00 -0.204 F ATOM 37 F LIG 1 1.353 -1.226 -2.513 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4