REMARK Name = BDB024988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.363 -0.614 0.543 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.595 -0.274 -0.585 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.239 0.381 -1.751 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.170 -0.594 -2.496 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.268 0.964 -2.789 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.077 1.600 -2.110 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.387 0.528 -1.319 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.980 0.434 -1.270 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.044 1.215 -1.898 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.134 0.752 -1.526 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.989 -0.347 -0.697 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.365 -0.548 -0.503 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.106 -1.465 0.246 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.503 -1.360 0.199 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.159 -0.381 -0.561 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.949 -1.120 1.581 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.074 -1.122 -0.101 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.072 -2.603 -0.529 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.816 -3.514 0.460 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.946 -2.766 1.174 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.425 -1.583 1.992 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.152 -0.955 1.421 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.349 -4.726 -0.268 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.504 -4.938 -0.596 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.376 -5.609 -0.564 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.840 -6.335 -1.032 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.502 -0.573 1.524 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.680 -0.275 0.395 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.442 1.358 -1.947 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.181 2.064 -0.830 0.00 0.00 -0.034 A ATOM 31 C LIG 1 -2.539 3.030 -0.035 0.00 0.00 +0.049 A ATOM 32 C LIG 1 -3.216 3.692 0.997 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -4.555 3.395 1.236 0.00 0.00 +0.084 A ATOM 34 C LIG 1 -5.197 2.452 0.440 0.00 0.00 +0.127 A ATOM 35 F LIG 1 -6.487 2.170 0.670 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.532 1.792 -0.588 0.00 0.00 +0.042 A BRANCH 32 37 ATOM 37 O LIG 1 -2.458 4.596 1.689 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -3.099 5.302 2.745 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7