REMARK Name = BDB031916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.794 -2.321 -0.682 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.138 -2.109 -1.909 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.833 -1.601 -1.893 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.144 -1.305 -0.726 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.130 -0.814 -1.156 0.00 0.00 +0.152 A ATOM 6 N LIG 1 1.217 -0.816 -2.489 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.786 -1.533 0.505 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.033 -1.290 -2.902 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.125 -1.378 -3.899 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.094 -2.042 0.505 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.737 1.635 0.875 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.577 0.457 0.131 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.286 -0.680 0.490 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.361 -2.072 -0.070 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.202 -2.871 -0.631 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.385 -2.762 0.802 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.794 -1.844 1.752 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.484 -2.060 2.456 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.761 -3.915 0.671 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.283 -2.333 -1.547 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.162 -0.611 1.582 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.347 0.528 2.336 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.618 1.665 1.972 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.078 3.906 1.156 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.982 2.687 0.431 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.077 -0.420 -0.268 0.00 0.00 -0.295 N ATOM 27 H LIG 1 1.843 -0.494 0.718 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.375 0.109 -0.444 0.00 0.00 +0.070 A ATOM 29 C LIG 1 4.187 0.415 0.662 0.00 0.00 +0.151 A ATOM 30 CL LIG 1 3.623 0.158 2.275 0.00 0.00 -0.060 Cl ATOM 31 N LIG 1 5.442 0.914 0.625 0.00 0.00 -0.229 NA ATOM 32 C LIG 1 5.958 1.129 -0.608 0.00 0.00 +0.127 A ATOM 33 C LIG 1 5.247 0.879 -1.777 0.00 0.00 +0.035 A ATOM 34 C LIG 1 3.952 0.360 -1.688 0.00 0.00 +0.028 A BRANCH 32 35 ATOM 35 C LIG 1 7.331 1.729 -0.713 0.00 0.00 +0.265 C ATOM 36 N LIG 1 8.278 1.528 0.298 0.00 0.00 -0.302 N ATOM 37 C LIG 1 8.121 0.607 1.414 0.00 0.00 +0.132 C ATOM 38 C LIG 1 9.495 2.321 0.286 0.00 0.00 +0.132 C ATOM 39 O LIG 1 7.581 2.400 -1.717 0.00 0.00 -0.268 OA ENDBRANCH 32 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5