REMARK Name = BDB030793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.355 -0.835 0.308 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -2.641 -0.542 -0.175 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -3.086 0.779 -0.417 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -4.434 1.066 -0.992 0.00 0.00 +0.056 A ATOM 5 N LIG 1 -5.160 -0.003 -1.536 0.00 0.00 -0.336 N ATOM 6 H LIG 1 -4.618 -0.847 -1.680 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -6.571 -0.308 -1.259 0.00 0.00 +0.111 C ATOM 8 C LIG 1 -7.522 0.844 -1.631 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -7.140 2.052 -0.967 0.00 0.00 -0.459 OA ATOM 10 C LIG 1 -6.130 2.662 -1.640 0.00 0.00 +0.346 C ATOM 11 O LIG 1 -6.288 3.352 -2.635 0.00 0.00 -0.245 OA ATOM 12 C LIG 1 -4.838 2.354 -1.011 0.00 0.00 +0.145 A ATOM 13 C LIG 1 -3.997 3.478 -0.547 0.00 0.00 +0.267 A ATOM 14 N LIG 1 -2.690 3.183 -0.182 0.00 0.00 -0.310 N ATOM 15 C LIG 1 -1.824 4.289 0.203 0.00 0.00 +0.152 C ATOM 16 O LIG 1 -4.465 4.615 -0.492 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 -2.229 1.840 -0.073 0.00 0.00 +0.054 A ATOM 18 C LIG 1 -0.949 1.553 0.425 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -0.523 0.236 0.614 0.00 0.00 +0.025 A ENDROOT BRANCH 7 20 ATOM 20 C LIG 1 -6.707 -0.715 0.188 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -6.256 -2.081 0.648 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -7.722 -1.749 0.608 0.00 0.00 +0.006 C ENDBRANCH 7 20 BRANCH 1 23 ATOM 23 N LIG 1 -1.007 -2.177 0.557 0.00 0.00 -0.298 N ATOM 24 H LIG 1 -1.674 -2.842 0.180 0.00 0.00 +0.154 HD BRANCH 23 27 ATOM 25 C LIG 1 2.593 -2.661 0.461 0.00 0.00 +0.220 A ATOM 26 N LIG 1 1.386 -2.079 0.354 0.00 0.00 -0.198 NA ATOM 27 C LIG 1 0.275 -2.786 0.647 0.00 0.00 +0.147 A ATOM 28 C LIG 1 0.361 -4.105 1.071 0.00 0.00 +0.099 A ATOM 29 CL LIG 1 -1.013 -5.069 1.446 0.00 0.00 -0.078 Cl ATOM 30 C LIG 1 1.626 -4.626 1.167 0.00 0.00 +0.137 A ATOM 31 N LIG 1 2.741 -3.931 0.872 0.00 0.00 -0.221 NA BRANCH 25 35 ATOM 32 C LIG 1 6.088 -0.608 -0.674 0.00 0.00 +0.078 C ATOM 33 C LIG 1 4.719 -0.074 -1.114 0.00 0.00 +0.032 C ATOM 34 C LIG 1 3.571 -0.531 -0.210 0.00 0.00 +0.108 C ATOM 35 N LIG 1 3.724 -1.939 0.119 0.00 0.00 -0.300 N ATOM 36 C LIG 1 4.988 -2.425 0.666 0.00 0.00 +0.108 C ATOM 37 C LIG 1 6.058 -1.333 0.670 0.00 0.00 +0.032 C BRANCH 32 40 ATOM 38 C LIG 1 6.321 1.917 1.039 0.00 0.00 +0.131 C ATOM 39 N LIG 1 7.216 1.591 -0.059 0.00 0.00 -0.307 N ATOM 40 C LIG 1 7.224 0.410 -0.787 0.00 0.00 +0.218 C ATOM 41 O LIG 1 8.158 0.142 -1.552 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 8.382 2.458 -0.173 0.00 0.00 +0.131 C ENDBRANCH 32 40 ENDBRANCH 25 35 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 5