REMARK Name = BDB035358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.558 0.524 0.218 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.154 0.772 -0.946 0.00 0.00 -0.268 N ATOM 3 C LIG 1 1.498 1.057 -1.042 0.00 0.00 +0.056 A ATOM 4 C LIG 1 1.882 1.188 -2.315 0.00 0.00 +0.042 A ATOM 5 N LIG 1 3.169 1.479 -2.658 0.00 0.00 -0.324 N ATOM 6 H LIG 1 3.444 1.582 -3.626 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 4.164 1.657 -1.720 0.00 0.00 +0.253 A ATOM 8 C LIG 1 3.754 1.488 -0.281 0.00 0.00 +0.023 A ATOM 9 O LIG 1 5.309 1.949 -2.050 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 0.769 0.988 -3.275 0.00 0.00 +0.074 C ATOM 11 C LIG 1 2.463 1.223 0.010 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -0.394 0.684 -2.320 0.00 0.00 +0.120 C ATOM 13 O LIG 1 -0.047 0.477 1.343 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -2.082 0.277 0.086 0.00 0.00 +0.162 C BRANCH 14 15 ATOM 15 C LIG 1 -2.884 1.412 0.773 0.00 0.00 +0.018 C ATOM 16 C LIG 1 -2.663 2.785 0.099 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.733 3.098 -0.940 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -5.126 3.164 -0.314 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -5.274 2.282 0.926 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -4.386 1.047 0.841 0.00 0.00 +0.006 C ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -2.223 -2.187 0.067 0.00 0.00 +0.230 C ATOM 22 N LIG 1 -2.307 -1.001 0.768 0.00 0.00 -0.302 N ATOM 23 H LIG 1 -2.017 -1.026 1.741 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -2.145 -2.228 -1.160 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 -2.218 -3.449 0.957 0.00 0.00 +0.137 C ATOM 26 C LIG 1 -0.798 -3.687 1.466 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 -4.101 -4.628 -0.027 0.00 0.00 +0.101 C ATOM 28 N LIG 1 -2.659 -4.635 0.194 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 -2.195 -4.600 -0.719 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 14 22 ENDBRANCH 1 14 BRANCH 8 30 ATOM 30 C LIG 1 4.817 1.675 0.764 0.00 0.00 +0.075 C BRANCH 30 31 ATOM 31 C LIG 1 5.596 0.408 1.046 0.00 0.00 -0.043 A ATOM 32 C LIG 1 6.781 0.131 0.346 0.00 0.00 +0.007 A ATOM 33 C LIG 1 7.489 -1.045 0.594 0.00 0.00 +0.038 A ATOM 34 C LIG 1 7.012 -1.947 1.536 0.00 0.00 +0.123 A ATOM 35 F LIG 1 7.692 -3.077 1.773 0.00 0.00 -0.205 F ATOM 36 C LIG 1 5.837 -1.696 2.235 0.00 0.00 +0.038 A ATOM 37 C LIG 1 5.127 -0.521 1.990 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7