REMARK Name = BDB034633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.018 1.991 -0.264 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.095 2.589 -0.888 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -2.166 2.425 -0.431 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.524 2.204 -0.759 0.00 0.00 +0.091 C ATOM 5 C LIG 1 1.850 0.729 -1.057 0.00 0.00 +0.037 C ATOM 6 C LIG 1 2.939 0.183 -0.117 0.00 0.00 +0.091 C ATOM 7 C LIG 1 4.069 1.211 0.021 0.00 0.00 +0.093 C ATOM 8 N LIG 1 3.654 2.520 0.539 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 4.004 2.662 1.485 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.199 2.736 0.526 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 3.504 -1.145 -0.621 0.00 0.00 +0.220 C ATOM 12 N LIG 1 4.245 -1.920 0.273 0.00 0.00 -0.297 N ATOM 13 C LIG 1 4.671 -3.242 -0.202 0.00 0.00 +0.136 C ATOM 14 C LIG 1 5.840 -3.800 0.612 0.00 0.00 +0.179 C ATOM 15 O LIG 1 5.542 -3.791 2.015 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 5.306 -2.450 2.460 0.00 0.00 +0.179 C ATOM 17 C LIG 1 4.111 -1.827 1.732 0.00 0.00 +0.136 C ATOM 18 O LIG 1 3.347 -1.496 -1.791 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 20 ATOM 19 C LIG 1 -1.833 -0.288 0.362 0.00 0.00 +0.059 A ATOM 20 C LIG 1 -0.917 0.761 0.579 0.00 0.00 +0.146 A ATOM 21 N LIG 1 0.005 0.770 1.574 0.00 0.00 -0.248 NA ATOM 22 C LIG 1 0.043 -0.324 2.370 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -0.765 -1.451 2.234 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -1.700 -1.411 1.189 0.00 0.00 +0.030 A BRANCH 23 25 ATOM 25 C LIG 1 -0.624 -2.654 3.130 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -1.823 -3.177 3.887 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -0.712 -2.501 4.631 0.00 0.00 +0.009 C ENDBRANCH 23 25 BRANCH 19 28 ATOM 28 N LIG 1 -2.768 -0.268 -0.709 0.00 0.00 -0.339 N ATOM 29 H LIG 1 -2.967 0.710 -0.966 0.00 0.00 +0.146 HD BRANCH 28 32 ATOM 30 C LIG 1 -5.680 0.042 -1.108 0.00 0.00 +0.121 C ATOM 31 C LIG 1 -4.772 -0.754 -2.074 0.00 0.00 +0.054 C ATOM 32 C LIG 1 -3.892 -1.147 -0.871 0.00 0.00 +0.075 C ATOM 33 C LIG 1 -5.078 -0.792 0.047 0.00 0.00 +0.054 C BRANCH 30 35 ATOM 34 C LIG 1 -7.938 0.613 -0.440 0.00 0.00 +0.194 C ATOM 35 O LIG 1 -7.098 -0.105 -1.333 0.00 0.00 -0.380 OA ENDBRANCH 30 35 ENDBRANCH 28 32 ENDBRANCH 19 28 ENDBRANCH 1 20 BRANCH 2 36 ATOM 36 C LIG 1 -0.174 3.813 -1.660 0.00 0.00 +0.111 C BRANCH 36 37 ATOM 37 C LIG 1 -0.454 3.614 -3.168 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -1.677 2.742 -3.450 0.00 0.00 +0.009 C ATOM 39 C LIG 1 0.753 3.086 -3.942 0.00 0.00 +0.009 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 9