REMARK Name = BDB024842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.441 -2.576 -2.237 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.010 -1.693 -1.232 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.016 -0.740 -0.715 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -7.070 -1.452 0.149 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.442 0.427 0.105 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.124 0.894 -0.477 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.179 -0.272 -0.430 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.832 -0.130 -0.040 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.160 0.995 0.361 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.070 0.615 0.649 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.232 -0.736 0.402 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.990 -1.233 -0.013 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.433 -2.513 -0.354 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.770 -2.644 -0.752 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.644 -1.550 -0.815 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.615 -2.687 -2.583 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.866 -4.116 -3.917 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.438 -3.259 -2.859 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.420 -1.548 0.622 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.066 -2.006 -0.676 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.218 -1.426 -1.124 0.00 0.00 -0.307 N ATOM 22 H LIG 1 3.599 -1.906 -1.930 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.575 -2.903 -1.367 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.086 -0.502 -0.422 0.00 0.00 +0.180 C BRANCH 24 25 ATOM 25 C LIG 1 4.861 -1.212 0.633 0.00 0.00 +0.144 A ATOM 26 N LIG 1 5.998 -0.717 1.218 0.00 0.00 -0.251 N ATOM 27 C LIG 1 6.696 0.518 0.966 0.00 0.00 +0.174 C ATOM 28 N LIG 1 6.457 -1.554 2.169 0.00 0.00 -0.158 NA ATOM 29 C LIG 1 5.564 -2.542 2.114 0.00 0.00 +0.245 A ATOM 30 N LIG 1 4.561 -2.366 1.208 0.00 0.00 -0.218 NA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 1.094 1.558 1.193 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 1.473 2.614 0.149 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 2.297 3.686 0.718 0.00 0.00 -0.315 N ATOM 34 C LIG 1 3.675 3.503 0.831 0.00 0.00 +0.251 A ATOM 35 O LIG 1 4.278 2.486 0.489 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 4.439 4.636 1.422 0.00 0.00 +0.070 A ATOM 37 C LIG 1 3.801 5.740 1.831 0.00 0.00 +0.007 A ATOM 38 C LIG 1 2.371 5.845 1.708 0.00 0.00 +0.018 A ATOM 39 C LIG 1 1.671 4.839 1.169 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8