REMARK Name = BDB035888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.209 -1.221 -3.730 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.151 -0.401 -2.473 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.058 -0.492 -1.601 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.025 0.273 -0.434 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.137 0.166 0.468 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.203 -0.789 0.065 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.027 -1.460 -1.083 0.00 0.00 +0.208 A ATOM 8 O LIG 1 -0.209 0.842 1.487 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.080 1.137 -0.119 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.185 1.236 -0.974 0.00 0.00 -0.032 A ATOM 11 O LIG 1 0.040 -1.352 -1.940 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.206 0.467 -2.150 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.397 -1.021 0.890 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.679 -0.752 0.387 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.826 -0.968 1.171 0.00 0.00 -0.036 A ATOM 16 C LIG 1 -4.670 -1.490 2.465 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.399 -1.756 2.974 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.268 -1.516 2.193 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -6.207 -0.638 0.608 0.00 0.00 +0.090 C BRANCH 19 20 ATOM 20 C LIG 1 -7.036 0.189 1.560 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -6.730 1.465 1.966 0.00 0.00 -0.320 N ATOM 22 C LIG 1 -5.593 2.265 1.597 0.00 0.00 +0.151 C ATOM 23 C LIG 1 -7.718 1.839 2.824 0.00 0.00 +0.224 A ATOM 24 N LIG 1 -8.588 0.866 2.943 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -8.160 -0.172 2.152 0.00 0.00 -0.134 NA ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 C LIG 1 -6.869 -1.931 0.170 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -7.868 -1.933 -0.963 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.525 -2.580 -1.151 0.00 0.00 +0.005 C ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 29 ATOM 29 C LIG 1 4.330 2.175 -0.647 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 5.642 1.505 -0.639 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 5.774 0.591 0.511 0.00 0.00 +0.088 C ATOM 32 C LIG 1 7.113 -0.167 0.492 0.00 0.00 +0.000 C ATOM 33 C LIG 1 7.169 -1.182 -0.654 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.283 0.824 0.428 0.00 0.00 +0.006 C ATOM 35 C LIG 1 8.098 1.847 -0.688 0.00 0.00 +0.016 C ATOM 36 C LIG 1 6.720 2.506 -0.623 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6