REMARK Name = BDB037904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.594 -1.162 0.408 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.937 -1.890 -0.521 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.683 -1.501 -0.862 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.009 -0.414 -0.323 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.694 0.344 0.629 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.995 -0.053 1.001 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.564 -2.592 1.358 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.545 -3.467 0.976 0.00 0.00 +0.166 A ATOM 9 F LIG 1 5.783 -4.785 0.899 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.265 -3.005 0.668 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.951 -1.636 0.738 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.991 -0.772 1.117 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.783 0.553 1.183 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.277 -1.231 1.425 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.842 -2.299 1.992 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.773 -3.167 1.635 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.306 -0.096 -0.704 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.390 -0.343 0.271 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.579 -1.140 -0.356 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.088 -0.400 -1.622 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.046 0.487 -2.312 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.625 -0.022 -2.131 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.105 -2.494 -0.751 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.187 -2.398 -1.186 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.908 -3.019 0.107 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.721 -1.271 0.700 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.969 -2.017 0.201 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -5.748 -3.358 0.237 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.990 -1.795 1.076 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.193 -1.918 1.884 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.570 -2.821 1.898 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.130 1.617 1.236 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -0.181 2.639 0.245 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.381 3.297 0.289 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -1.680 4.291 -0.748 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -2.922 4.809 -0.506 0.00 0.00 -0.229 NA ATOM 37 C LIG 1 -3.286 4.175 0.571 0.00 0.00 +0.224 A ATOM 38 C LIG 1 -0.745 4.525 -1.693 0.00 0.00 +0.147 A ATOM 39 N LIG 1 0.493 3.893 -1.677 0.00 0.00 -0.221 NA ATOM 40 N LIG 1 -2.397 3.248 1.100 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 0.704 3.007 -0.747 0.00 0.00 +0.203 A BRANCH 38 42 ATOM 42 N LIG 1 -0.995 5.448 -2.693 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -0.125 5.888 -2.974 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -1.719 6.107 -2.415 0.00 0.00 +0.144 HD ENDBRANCH 38 42 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10