REMARK Name = BDB001438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.131 0.871 -0.746 0.00 0.00 -0.275 N ATOM 2 C LIG 1 0.884 1.554 -0.372 0.00 0.00 +0.194 C ATOM 3 C LIG 1 0.072 0.502 0.398 0.00 0.00 +0.245 C ATOM 4 O LIG 1 -0.087 0.538 1.620 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -0.509 -0.519 -0.380 0.00 0.00 -0.268 N ATOM 6 C LIG 1 -0.341 -0.654 -1.802 0.00 0.00 +0.049 A ATOM 7 C LIG 1 0.845 -0.330 -2.500 0.00 0.00 +0.059 A ATOM 8 C LIG 1 0.913 -0.472 -3.902 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -0.185 -0.929 -4.621 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.354 -1.269 -3.955 0.00 0.00 +0.016 A ATOM 11 I LIG 1 -0.070 -1.126 -6.683 0.00 0.00 -0.044 I ATOM 12 C LIG 1 -1.424 -1.139 -2.563 0.00 0.00 +0.025 A ATOM 13 C LIG 1 2.135 0.022 -1.845 0.00 0.00 +0.250 C ATOM 14 O LIG 1 3.155 -0.466 -2.324 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 15 ATOM 15 C LIG 1 1.086 2.956 0.205 0.00 0.00 -0.018 A ATOM 16 C LIG 1 1.785 3.895 -0.585 0.00 0.00 +0.007 A ATOM 17 C LIG 1 2.003 5.203 -0.144 0.00 0.00 +0.020 A ATOM 18 C LIG 1 1.515 5.600 1.095 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 1.777 7.208 1.645 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 0.811 4.700 1.888 0.00 0.00 +0.020 A ATOM 21 C LIG 1 0.594 3.390 1.445 0.00 0.00 +0.007 A ENDBRANCH 2 15 BRANCH 1 23 ATOM 22 C LIG 1 4.591 1.331 -0.443 0.00 0.00 +0.033 C ATOM 23 C LIG 1 3.275 0.869 0.200 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 C LIG 1 3.395 -0.443 0.972 0.00 0.00 -0.027 A ATOM 25 C LIG 1 2.823 -0.550 2.252 0.00 0.00 +0.007 A ATOM 26 C LIG 1 2.893 -1.743 2.977 0.00 0.00 +0.020 A ATOM 27 C LIG 1 3.543 -2.845 2.433 0.00 0.00 +0.041 A ATOM 28 CL LIG 1 3.628 -4.316 3.321 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 4.122 -2.763 1.170 0.00 0.00 +0.020 A ATOM 30 C LIG 1 4.048 -1.569 0.446 0.00 0.00 +0.007 A ENDBRANCH 23 24 ENDBRANCH 1 23 BRANCH 5 31 ATOM 31 C LIG 1 -1.349 -1.496 0.337 0.00 0.00 +0.129 C BRANCH 31 32 ATOM 32 C LIG 1 -2.735 -0.931 0.726 0.00 0.00 +0.104 C BRANCH 32 33 ATOM 33 N LIG 1 -3.613 -1.942 1.343 0.00 0.00 -0.296 NA ATOM 34 C LIG 1 -4.726 -1.312 2.092 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -5.824 -0.721 1.193 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -6.359 -1.711 0.306 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -5.325 -2.288 -0.498 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -4.200 -2.887 0.366 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 6