REMARK Name = BDB039409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.934 -1.148 0.933 0.00 0.00 -0.021 A ATOM 2 C LIG 1 2.772 -2.510 0.610 0.00 0.00 +0.023 A ATOM 3 C LIG 1 3.631 -3.645 0.533 0.00 0.00 +0.029 A ATOM 4 C LIG 1 2.862 -4.736 0.181 0.00 0.00 +0.089 A ATOM 5 N LIG 1 1.582 -4.289 -0.010 0.00 0.00 -0.324 N ATOM 6 C LIG 1 1.492 -2.953 0.287 0.00 0.00 +0.142 A ATOM 7 N LIG 1 0.361 -2.223 0.260 0.00 0.00 -0.229 NA ATOM 8 C LIG 1 0.528 -0.913 0.557 0.00 0.00 +0.074 A ATOM 9 C LIG 1 1.765 -0.361 0.901 0.00 0.00 +0.034 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -0.710 -0.099 0.501 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -1.953 -0.670 0.857 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -3.103 0.102 0.802 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -4.515 -0.270 1.099 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -5.218 0.997 0.945 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -4.392 1.987 0.433 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -4.690 3.106 0.064 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.036 1.429 0.395 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -1.854 2.033 0.022 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -0.690 1.258 0.077 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 -6.676 1.060 0.942 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -7.241 0.840 -0.470 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -6.697 0.132 -1.316 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -8.479 1.389 -0.716 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -8.863 1.214 -1.635 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -9.298 2.050 0.164 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -10.441 2.367 -0.153 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -8.756 2.278 1.555 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -7.237 2.345 1.551 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 8 10 BRANCH 5 29 ATOM 29 C LIG 1 0.429 -5.144 -0.327 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -0.488 -4.585 -1.424 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -0.474 -5.869 -2.112 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 0.708 -6.245 -1.356 0.00 0.00 +0.187 C ENDBRANCH 5 29 BRANCH 1 33 ATOM 33 C LIG 1 4.255 -0.518 1.318 0.00 0.00 +0.120 C BRANCH 33 37 ATOM 34 C LIG 1 5.535 2.750 -1.030 0.00 0.00 +0.120 C ATOM 35 C LIG 1 5.051 1.502 -1.778 0.00 0.00 +0.047 C ATOM 36 C LIG 1 4.964 0.260 -0.887 0.00 0.00 +0.087 C ATOM 37 N LIG 1 4.604 0.642 0.481 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.683 1.422 1.111 0.00 0.00 +0.087 C ATOM 39 C LIG 1 6.428 2.343 0.139 0.00 0.00 +0.047 C BRANCH 34 41 ATOM 40 C LIG 1 6.334 4.932 -1.568 0.00 0.00 +0.194 C ATOM 41 O LIG 1 6.242 3.571 -1.966 0.00 0.00 -0.380 OA ENDBRANCH 34 41 ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6