REMARK Name = BDB043042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.150 0.465 -0.537 0.00 0.00 +0.124 A ATOM 2 N LIG 1 -2.558 -0.743 -0.237 0.00 0.00 -0.213 NA ATOM 3 C LIG 1 -1.615 -1.649 0.156 0.00 0.00 +0.163 A ATOM 4 N LIG 1 -0.246 -1.340 0.221 0.00 0.00 -0.200 N ATOM 5 N LIG 1 0.486 -2.436 0.609 0.00 0.00 -0.171 NA ATOM 6 C LIG 1 -0.417 -3.395 0.808 0.00 0.00 +0.141 A ATOM 7 C LIG 1 0.214 -0.033 -0.102 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -1.718 -2.958 0.560 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -0.708 0.875 -0.468 0.00 0.00 +0.087 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.014 -3.783 0.675 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.998 -3.441 1.765 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -3.209 -4.714 1.844 0.00 0.00 +0.009 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.068 1.420 -0.936 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.690 2.237 -1.403 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.417 1.066 -1.360 0.00 0.00 +0.109 C BRANCH 15 17 ATOM 16 C LIG 1 -6.166 -0.524 -0.446 0.00 0.00 +0.133 C ATOM 17 C LIG 1 -5.293 0.706 -0.148 0.00 0.00 +0.037 C ATOM 18 C LIG 1 -6.179 1.884 0.283 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -7.090 1.491 1.446 0.00 0.00 +0.081 C ATOM 20 N LIG 1 -7.926 0.334 1.121 0.00 0.00 -0.314 NA ATOM 21 H LIG 1 -8.542 0.569 0.342 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -7.099 -0.819 0.742 0.00 0.00 +0.112 C BRANCH 16 23 ATOM 23 O LIG 1 -5.370 -1.676 -0.723 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -4.460 -1.518 -0.386 0.00 0.00 +0.210 HD ENDBRANCH 16 23 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 N LIG 1 1.565 0.306 -0.030 0.00 0.00 -0.323 N ATOM 26 H LIG 1 1.833 1.190 -0.462 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.699 -0.609 0.048 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 4.030 0.056 -0.171 0.00 0.00 +0.079 A ATOM 29 N LIG 1 4.112 1.295 -0.791 0.00 0.00 -0.230 NA ATOM 30 C LIG 1 5.398 1.581 -0.819 0.00 0.00 +0.154 A ATOM 31 N LIG 1 6.157 0.577 -0.245 0.00 0.00 -0.220 N ATOM 32 N LIG 1 7.510 0.534 -0.104 0.00 0.00 -0.170 NA ATOM 33 C LIG 1 8.102 1.585 -0.580 0.00 0.00 +0.065 A ATOM 34 C LIG 1 7.426 2.746 -1.225 0.00 0.00 +0.029 A ATOM 35 C LIG 1 6.091 2.703 -1.322 0.00 0.00 +0.050 A ATOM 36 C LIG 1 5.290 -0.396 0.167 0.00 0.00 +0.139 A BRANCH 33 37 ATOM 37 C LIG 1 9.586 1.594 -0.453 0.00 0.00 +0.040 C ATOM 38 C LIG 1 10.492 2.176 -1.510 0.00 0.00 +0.010 C ATOM 39 C LIG 1 10.373 2.851 -0.172 0.00 0.00 +0.010 C ENDBRANCH 33 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 7 25 TORSDOF 9