REMARK Name = BDB027214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.066 1.249 -0.844 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.819 0.150 -1.285 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.228 0.247 -1.273 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.862 1.388 -0.783 0.00 0.00 +0.074 A ATOM 5 N LIG 1 -2.142 2.440 -0.331 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.792 2.347 -0.371 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.330 1.567 -0.743 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -5.234 0.497 -0.625 0.00 0.00 +0.135 A ATOM 9 F LIG 1 -4.794 -0.767 -0.539 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -6.616 0.690 -0.582 0.00 0.00 +0.077 A ATOM 11 C LIG 1 -7.123 1.977 -0.658 0.00 0.00 +0.126 A ATOM 12 F LIG 1 -8.449 2.172 -0.613 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -6.274 3.066 -0.768 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.890 2.862 -0.809 0.00 0.00 +0.015 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.328 1.194 0.739 0.00 0.00 +0.056 C ATOM 16 C LIG 1 1.888 0.689 0.412 0.00 0.00 +0.129 C ATOM 17 N LIG 1 1.344 1.217 -0.870 0.00 0.00 -0.327 N ATOM 18 C LIG 1 1.981 2.453 -1.347 0.00 0.00 +0.105 C ATOM 19 C LIG 1 3.463 2.192 -1.622 0.00 0.00 +0.021 C ATOM 20 C LIG 1 4.138 1.304 -0.569 0.00 0.00 +0.027 C BRANCH 15 21 ATOM 21 N LIG 1 3.315 2.542 1.378 0.00 0.00 -0.322 NA ATOM 22 H LIG 1 2.778 2.495 2.245 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 4.278 2.724 1.686 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 4.000 0.189 1.716 0.00 0.00 +0.182 C BRANCH 24 26 ATOM 25 C LIG 1 5.953 -0.223 2.980 0.00 0.00 +0.194 C ATOM 26 O LIG 1 5.281 0.691 2.122 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 27 ATOM 27 C LIG 1 -0.153 -1.081 -1.857 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -0.699 -2.320 -1.323 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -0.439 -2.871 -0.098 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -1.180 -4.044 -0.076 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -1.102 -4.819 1.093 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -0.332 -4.378 2.113 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 0.338 -3.218 1.949 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -1.872 -4.215 -1.259 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 0.351 -2.395 0.881 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -1.547 -3.168 -1.987 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -1.787 -6.017 1.260 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -1.924 -6.245 2.236 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -2.580 -6.112 0.635 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8