REMARK Name = BDB002341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.677 0.257 -1.219 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.357 1.005 -2.330 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.638 0.539 -3.306 0.00 0.00 +0.162 C ATOM 4 C LIG 1 0.298 1.314 -4.580 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.307 2.611 -4.055 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -1.096 2.151 -2.840 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -0.087 -0.801 -0.972 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.060 0.844 -2.785 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.458 0.016 -1.758 0.00 0.00 -0.307 N ATOM 10 H LIG 1 1.740 -0.566 -1.324 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 2.762 1.751 -3.225 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.666 0.262 -0.987 0.00 0.00 +0.103 C ATOM 13 C LIG 1 4.151 -1.015 -0.318 0.00 0.00 -0.024 A ATOM 14 C LIG 1 4.609 -1.022 1.014 0.00 0.00 -0.042 A ATOM 15 C LIG 1 5.058 -2.223 1.588 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.090 -3.401 0.844 0.00 0.00 +0.000 A ATOM 17 C LIG 1 4.673 -3.393 -0.483 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.589 0.223 1.865 0.00 0.00 +0.035 C ATOM 19 C LIG 1 4.523 1.502 1.037 0.00 0.00 +0.007 C ATOM 20 C LIG 1 4.213 -2.210 -1.060 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.402 1.401 0.014 0.00 0.00 +0.027 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -1.729 0.821 -0.240 0.00 0.00 +0.160 C BRANCH 22 24 ATOM 23 C LIG 1 -3.605 -0.451 0.797 0.00 0.00 +0.230 C ATOM 24 N LIG 1 -2.273 -0.317 0.491 0.00 0.00 -0.303 N ATOM 25 H LIG 1 -1.619 -1.065 0.702 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 -4.417 0.453 0.581 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 -3.988 -1.760 1.536 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -3.524 -2.998 0.774 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 -5.869 -2.401 2.939 0.00 0.00 +0.101 C ATOM 30 N LIG 1 -5.461 -1.812 1.673 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 -5.819 -0.854 1.611 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 22 24 BRANCH 22 32 ATOM 32 C LIG 1 -1.055 1.836 0.698 0.00 0.00 +0.041 C BRANCH 32 33 ATOM 33 C LIG 1 -2.051 2.615 1.556 0.00 0.00 +0.098 C BRANCH 33 34 ATOM 34 C LIG 1 -2.501 1.843 2.777 0.00 0.00 +0.211 C ATOM 35 O LIG 1 -1.754 1.179 3.486 0.00 0.00 -0.276 OA ATOM 36 N LIG 1 -3.828 1.968 3.075 0.00 0.00 -0.329 N ATOM 37 H LIG 1 -4.142 1.373 3.832 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -4.471 2.027 2.290 0.00 0.00 +0.145 HD ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 9