REMARK Name = BDB019621 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.015 0.061 1.496 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.051 1.355 0.967 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.022 1.893 0.241 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.176 1.108 0.071 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.268 -0.185 0.611 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.178 -0.699 1.331 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.946 3.253 -0.321 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.042 3.589 -1.356 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -0.010 4.895 -1.852 0.00 0.00 +0.084 A ATOM 10 C LIG 1 -0.860 5.862 -1.321 0.00 0.00 +0.130 A ATOM 11 F LIG 1 -0.813 7.105 -1.824 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -1.750 5.567 -0.291 0.00 0.00 -0.014 A ATOM 13 C LIG 1 -2.668 6.623 0.244 0.00 0.00 +0.047 C ATOM 14 C LIG 1 -1.794 4.256 0.195 0.00 0.00 +0.018 A BRANCH 8 15 ATOM 15 O LIG 1 0.744 2.568 -1.830 0.00 0.00 -0.494 OA ATOM 16 C LIG 1 1.767 2.900 -2.760 0.00 0.00 +0.277 C ENDBRANCH 8 15 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.348 -1.823 2.211 0.00 0.00 -0.306 N ATOM 18 H LIG 1 0.871 -2.360 1.498 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.162 -0.459 2.243 0.00 0.00 +0.244 C ATOM 20 O LIG 1 1.920 0.314 2.818 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 2.571 -2.416 2.716 0.00 0.00 +0.160 C BRANCH 21 24 ATOM 22 C LIG 1 5.444 -1.724 0.339 0.00 0.00 +0.123 A ATOM 23 C LIG 1 4.537 -1.573 1.385 0.00 0.00 +0.070 A ATOM 24 C LIG 1 3.595 -2.571 1.616 0.00 0.00 +0.062 A ATOM 25 N LIG 1 3.509 -3.683 0.842 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 4.401 -3.803 -0.164 0.00 0.00 +0.114 A ATOM 27 C LIG 1 5.378 -2.864 -0.453 0.00 0.00 +0.065 A BRANCH 22 29 ATOM 28 C LIG 1 7.291 -0.812 -0.850 0.00 0.00 +0.277 C ATOM 29 O LIG 1 6.336 -0.697 0.197 0.00 0.00 -0.495 OA ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 30 ATOM 30 C LIG 1 -3.522 -1.007 0.433 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -3.205 -2.235 -0.271 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -2.623 -2.066 -1.087 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.151 -3.147 -0.577 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -5.094 -3.425 0.360 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -4.716 -3.487 1.297 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -5.789 -4.615 -0.090 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -5.389 -4.666 -1.567 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -4.188 -3.796 -1.704 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9